N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine

C17H20N2 — CID 104736915

IUPACN-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)c(Cc2cccnc2)c1
InChIInChI=1S/C17H20N2/c1-13-4-5-15(12-19-17-6-7-17)16(9-13)10-14-3-2-8-18-11-14/h2-5,8-9,11,17,19H,6-7,10,12H2,1H3
InChIKeyCVVQBLQVONVOSP-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.23
Rot. Bonds5

About N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine

N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine (PubChem CID 104736915) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
PubChem CID104736915
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)c(Cc2cccnc2)c1
InChIInChI=1S/C17H20N2/c1-13-4-5-15(12-19-17-6-7-17)16(9-13)10-14-3-2-8-18-11-14/h2-5,8-9,11,17,19H,6-7,10,12H2,1H3
InChIKeyCVVQBLQVONVOSP-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
CID 104736872
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 55114430
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43276842
4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
CID 105073452
5-methyl-2-(pyridin-3-ylmethyl)benzoic acid
CID 104736791
3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
CID 81249862
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine
CID 54911922
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine (CID 104736915) is N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine is Cc1ccc(CNC2CC2)c(Cc2cccnc2)c1.
What is the InChIKey of N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is CVVQBLQVONVOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-4-5-15(12-19-17-6-7-17)16(9-13)10-14-3-2-8-18-11-14/h2-5,8-9,11,17,19H,6-7,10,12H2,1H3.
What are the key properties of N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine?
N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 252.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 104736915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).