N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine

C18H21ClN2O2 — CID 74235459

IUPACN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
SMILESCOc1ccc(CN(Cc2ccncc2)C2CC2)c(Cl)c1OC
InChIInChI=1S/C18H21ClN2O2/c1-22-16-6-3-14(17(19)18(16)23-2)12-21(15-4-5-15)11-13-7-9-20-10-8-13/h3,6-10,15H,4-5,11-12H2,1-2H3
InChIKeyRIOQLMKJPGFPRO-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.92
Rot. Bonds7

About N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine

N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine (PubChem CID 74235459) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
PubChem CID74235459
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
SMILESCOc1ccc(CN(Cc2ccncc2)C2CC2)c(Cl)c1OC
InChIInChI=1S/C18H21ClN2O2/c1-22-16-6-3-14(17(19)18(16)23-2)12-21(15-4-5-15)11-13-7-9-20-10-8-13/h3,6-10,15H,4-5,11-12H2,1-2H3
InChIKeyRIOQLMKJPGFPRO-UHFFFAOYSA-N
XLogP3.92
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine (CID 74235459) is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine is COc1ccc(CN(Cc2ccncc2)C2CC2)c(Cl)c1OC.
What is the InChIKey of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine?
The InChIKey is RIOQLMKJPGFPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-22-16-6-3-14(17(19)18(16)23-2)12-21(15-4-5-15)11-13-7-9-20-10-8-13/h3,6-10,15H,4-5,11-12H2,1-2H3.
What are the key properties of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine?
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine has a molecular weight of 332.83 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 74235459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).