1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine

C16H19ClN2 — CID 105144427

IUPAC1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)c2ccncc2Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-3-4-12-5-7-13(8-6-12)16(18-2)14-9-10-19-11-15(14)17/h5-11,16,18H,3-4H2,1-2H3
InChIKeyKWTWRVZIHMCRNM-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.00
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine

1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine (PubChem CID 105144427) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
PubChem CID105144427
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)c2ccncc2Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-3-4-12-5-7-13(8-6-12)16(18-2)14-9-10-19-11-15(14)17/h5-11,16,18H,3-4H2,1-2H3
InChIKeyKWTWRVZIHMCRNM-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine 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-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857
1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 79780314
1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine
CID 105146775
N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 105144863
N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
CID 105140466
1-(4-ethylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065349
1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 105148183
1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 43484310
1-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 105145038
4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine
CID 83166730
1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine
CID 105125649

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine (CID 105144427) is 1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine is CCCc1ccc(C(NC)c2ccncc2Cl)cc1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine?
The InChIKey is KWTWRVZIHMCRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-4-12-5-7-13(8-6-12)16(18-2)14-9-10-19-11-15(14)17/h5-11,16,18H,3-4H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine?
1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine has a molecular weight of 274.80 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine is sourced from PubChem (CID 105144427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).