N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine

C16H17ClN2 — CID 104736872

IUPACN-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(Cc2cccnc2)c(CNC2CC2)c1
InChIInChI=1S/C16H17ClN2/c17-15-4-3-13(8-12-2-1-7-18-10-12)14(9-15)11-19-16-5-6-16/h1-4,7,9-10,16,19H,5-6,8,11H2
InChIKeyUBBJFLBOYHARGL-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.58
Rot. Bonds5

About N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine (PubChem CID 104736872) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
PubChem CID104736872
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC NameN-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(Cc2cccnc2)c(CNC2CC2)c1
InChIInChI=1S/C16H17ClN2/c17-15-4-3-13(8-12-2-1-7-18-10-12)14(9-15)11-19-16-5-6-16/h1-4,7,9-10,16,19H,5-6,8,11H2
InChIKeyUBBJFLBOYHARGL-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
CID 104736915
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81300399
N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine
CID 79723423
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine
CID 54911922
N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 55114430
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine
CID 66160891
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine (CID 104736872) is N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine is Clc1ccc(Cc2cccnc2)c(CNC2CC2)c1.
What is the InChIKey of N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is UBBJFLBOYHARGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-15-4-3-13(8-12-2-1-7-18-10-12)14(9-15)11-19-16-5-6-16/h1-4,7,9-10,16,19H,5-6,8,11H2.
What are the key properties of N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 272.78 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 104736872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).