N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine

C15H18ClN3 — CID 81150635

IUPACN-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1ncn(-c2ccc(CNC3CC3)cc2Cl)c1C
InChIInChI=1S/C15H18ClN3/c1-10-11(2)19(9-18-10)15-6-3-12(7-14(15)16)8-17-13-4-5-13/h3,6-7,9,13,17H,4-5,8H2,1-2H3
InChIKeyTVJAVTWBSHZJHT-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.39
Rot. Bonds4

About N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine

N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 81150635) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID81150635
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1ncn(-c2ccc(CNC3CC3)cc2Cl)c1C
InChIInChI=1S/C15H18ClN3/c1-10-11(2)19(9-18-10)15-6-3-12(7-14(15)16)8-17-13-4-5-13/h3,6-7,9,13,17H,4-5,8H2,1-2H3
InChIKeyTVJAVTWBSHZJHT-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62351103
1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
CID 115944874
N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 63943468
N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114927421
1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]-1,2,4-triazole-3-carbonitrile
CID 81150212
N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
CID 81152518
3-chloro-4-(4,5-dimethylimidazol-1-yl)aniline
CID 62351582
N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62123320
N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 105406417
1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]-4-methylpiperidin-4-ol
CID 81150118
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine (CID 81150635) is N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine is Cc1ncn(-c2ccc(CNC3CC3)cc2Cl)c1C.
What is the InChIKey of N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is TVJAVTWBSHZJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10-11(2)19(9-18-10)15-6-3-12(7-14(15)16)8-17-13-4-5-13/h3,6-7,9,13,17H,4-5,8H2,1-2H3.
What are the key properties of N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 275.78 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 81150635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).