N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine

C15H17ClN2 — CID 104853862

IUPACN-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
SMILESCc1cc(Cl)ccc1CNC(C)c1cccnc1
InChIInChI=1S/C15H17ClN2/c1-11-8-15(16)6-5-13(11)10-18-12(2)14-4-3-7-17-9-14/h3-9,12,18H,10H2,1-2H3
InChIKeyDOINHAFSUAKNNV-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.89
Rot. Bonds4

About N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine

N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 104853862) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
PubChem CID104853862
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
SMILESCc1cc(Cl)ccc1CNC(C)c1cccnc1
InChIInChI=1S/C15H17ClN2/c1-11-8-15(16)6-5-13(11)10-18-12(2)14-4-3-7-17-9-14/h3-9,12,18H,10H2,1-2H3
InChIKeyDOINHAFSUAKNNV-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 112651837
(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655829
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 102615860
(1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 104868538
2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 112553988
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
N-(5-chloro-2-methylphenyl)-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81396572
N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 81395668
3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
CID 81405303
2-[(4-chloro-2-methylphenyl)methylamino]-3-pyridin-3-ylpropanoic acid
CID 167757459
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine (CID 104853862) is N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine is Cc1cc(Cl)ccc1CNC(C)c1cccnc1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is DOINHAFSUAKNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-8-15(16)6-5-13(11)10-18-12(2)14-4-3-7-17-9-14/h3-9,12,18H,10H2,1-2H3.
What are the key properties of N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine?
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 260.77 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 104853862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).