1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine

C17H21ClN2O — CID 62992019

IUPAC1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine
SMILESCCCC(NCc1ccnc(OC)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O/c1-3-4-16(14-5-7-15(18)8-6-14)20-12-13-9-10-19-17(11-13)21-2/h5-11,16,20H,3-4,12H2,1-2H3
InChIKeyLAPNDGBFKBKBNR-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.37
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine

1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine (PubChem CID 62992019) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine
PubChem CID62992019
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine
SMILESCCCC(NCc1ccnc(OC)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O/c1-3-4-16(14-5-7-15(18)8-6-14)20-12-13-9-10-19-17(11-13)21-2/h5-11,16,20H,3-4,12H2,1-2H3
InChIKeyLAPNDGBFKBKBNR-UHFFFAOYSA-N
XLogP4.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol
CID 62989373
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 97229804
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine
CID 43204940
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 82991376
1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62990560
1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 62990396
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155842
N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
CID 115708940
1-(3-chloro-4-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 81145864
N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62297313
1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine
CID 81169865
1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine
CID 115708937

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine (CID 62992019) is 1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine is CCCC(NCc1ccnc(OC)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine?
The InChIKey is LAPNDGBFKBKBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-3-4-16(14-5-7-15(18)8-6-14)20-12-13-9-10-19-17(11-13)21-2/h5-11,16,20H,3-4,12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine?
1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine has a molecular weight of 304.82 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine is sourced from PubChem (CID 62992019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).