N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine

C15H20ClNO — CID 66023806

IUPACN-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
SMILESCOc1ccc(Cl)cc1CC1(CNC2CC2)CC1
InChIInChI=1S/C15H20ClNO/c1-18-14-5-2-12(16)8-11(14)9-15(6-7-15)10-17-13-3-4-13/h2,5,8,13,17H,3-4,6-7,9-10H2,1H3
InChIKeyUJAMXRXCAWKFHZ-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.42
Rot. Bonds6

About N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine

N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine (PubChem CID 66023806) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
PubChem CID66023806
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
SMILESCOc1ccc(Cl)cc1CC1(CNC2CC2)CC1
InChIInChI=1S/C15H20ClNO/c1-18-14-5-2-12(16)8-11(14)9-15(6-7-15)10-17-13-3-4-13/h2,5,8,13,17H,3-4,6-7,9-10H2,1H3
InChIKeyUJAMXRXCAWKFHZ-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 65194895
N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66026019
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 63509042
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194491
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196229
N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 62595167
1-[3-[(5-chloro-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 55111253
N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 66161691
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine (CID 66023806) is N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine is COc1ccc(Cl)cc1CC1(CNC2CC2)CC1.
What is the InChIKey of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine?
The InChIKey is UJAMXRXCAWKFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-18-14-5-2-12(16)8-11(14)9-15(6-7-15)10-17-13-3-4-13/h2,5,8,13,17H,3-4,6-7,9-10H2,1H3.
What are the key properties of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine?
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine has a molecular weight of 265.78 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 66023806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).