N-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine

C23H22Cl2N2O — CID 129241710

IUPACN-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine
SMILESCOCc1ccccc1-c1ccncc1C1(NCc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C23H22Cl2N2O/c1-28-15-16-4-2-3-5-19(16)20-8-11-26-14-21(20)23(9-10-23)27-13-17-12-18(24)6-7-22(17)25/h2-8,11-12,14,27H,9-10,13,15H2,1H3
InChIKeyRLOKAKBNQQDKQG-UHFFFAOYSA-N
MW413.35 g/mol
LogP5.98
Rot. Bonds7

About N-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine

N-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine (PubChem CID 129241710) has the molecular formula C23H22Cl2N2O and a molecular weight of 413.35 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine
PubChem CID129241710
Molecular FormulaC23H22Cl2N2O
Molecular Weight413.35 g/mol
Exact Mass412.11
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine
SMILESCOCc1ccccc1-c1ccncc1C1(NCc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C23H22Cl2N2O/c1-28-15-16-4-2-3-5-19(16)20-8-11-26-14-21(20)23(9-10-23)27-13-17-12-18(24)6-7-22(17)25/h2-8,11-12,14,27H,9-10,13,15H2,1H3
InChIKeyRLOKAKBNQQDKQG-UHFFFAOYSA-N
XLogP5.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.35
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine
CID 129241577
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 129242050
2-[4-chloro-3-[[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]amino]methyl]phenyl]hexan-1-ol
CID 129257766
3-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]-4-(2-fluorophenyl)pyridine
CID 129241725
ethyl 5-[4-chloro-3-[[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]amino]methyl]phenyl]sulfanylpentanoate
CID 129242383
(5R)-5-[3-[[[1-[4-[2-(2-butylcyclopropyl)oxyphenyl]-3-pyridinyl]cyclopropyl]amino]methyl]-4-chlorophenyl]hexanoic acid
CID 129267184
6-[4-chloro-3-[[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]amino]methyl]phenyl]-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
CID 175607758
1-[(5S)-5-[4-chloro-3-[[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]amino]methyl]phenyl]hexyl]-3-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]urea
CID 129267186
1-[(5R)-5-[4-chloro-3-[[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]amino]methyl]phenyl]hexyl]-3-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]urea
CID 129242060
5-[2,5-dichloro-4-[[[1-[4-(2-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]methyl]phenyl]-N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide
CID 129241869
5-[4-chloro-3-[[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]amino]methyl]phenyl]-N-(oxan-4-yl)-N-[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]hexanamide
CID 129242140
(2S,3S,4S,5R)-N-[4-[4-chloro-3-[[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]amino]methyl]phenyl]-5-hydroxypentyl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide
CID 129242556

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine (CID 129241710) is N-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine is COCc1ccccc1-c1ccncc1C1(NCc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine?
The InChIKey is RLOKAKBNQQDKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O/c1-28-15-16-4-2-3-5-19(16)20-8-11-26-14-21(20)23(9-10-23)27-13-17-12-18(24)6-7-22(17)25/h2-8,11-12,14,27H,9-10,13,15H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine?
N-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine has a molecular weight of 413.35 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-1-[4-[2-(methoxymethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine is sourced from PubChem (CID 129241710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).