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

C15H17ClN2 — CID 106816068

IUPACN-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCc1ccc(CNCCc2ccccn2)cc1Cl
InChIInChI=1S/C15H17ClN2/c1-12-5-6-13(10-15(12)16)11-17-9-7-14-4-2-3-8-18-14/h2-6,8,10,17H,7,9,11H2,1H3
InChIKeyREBJTSHZYDTHSY-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.38
Rot. Bonds5

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

N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 106816068) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
PubChem CID106816068
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCc1ccc(CNCCc2ccccn2)cc1Cl
InChIInChI=1S/C15H17ClN2/c1-12-5-6-13(10-15(12)16)11-17-9-7-14-4-2-3-8-18-14/h2-6,8,10,17H,7,9,11H2,1H3
InChIKeyREBJTSHZYDTHSY-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 106816930
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758203
N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 28614976
N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 21071539
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 81147198
2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 81146369
1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 106816664
N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 115651235
N-[(3-chloro-4-methylphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106833818
2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28579124
N-[(3-chloro-4-methylphenyl)methyl]-2-(3,4-dichlorophenoxy)ethanamine
CID 67864198

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine (CID 106816068) is N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine is Cc1ccc(CNCCc2ccccn2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is REBJTSHZYDTHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-12-5-6-13(10-15(12)16)11-17-9-7-14-4-2-3-8-18-14/h2-6,8,10,17H,7,9,11H2,1H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine?
N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 260.77 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 106816068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).