1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine

C17H21ClN2 — CID 82732749

IUPAC1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCc1cccnc1CNC(CC)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-3-13-6-5-11-19-17(13)12-20-16(4-2)14-7-9-15(18)10-8-14/h5-11,16,20H,3-4,12H2,1-2H3
InChIKeyHECFVDVWEGAUIT-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.54
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine

1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 82732749) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID82732749
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCc1cccnc1CNC(CC)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-3-13-6-5-11-19-17(13)12-20-16(4-2)14-7-9-15(18)10-8-14/h5-11,16,20H,3-4,12H2,1-2H3
InChIKeyHECFVDVWEGAUIT-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994436
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 82733459
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 82732936
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 43434316
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43234899
3-[[1-(4-chlorophenyl)propylamino]methyl]benzene-1,2-diol
CID 61318879
5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707041
1-(5-chlorothiophen-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 114082779
N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
CID 82737451
N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine
CID 82732422
2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
CID 103261743
1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82733903

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine (CID 82732749) is 1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine is CCc1cccnc1CNC(CC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is HECFVDVWEGAUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-3-13-6-5-11-19-17(13)12-20-16(4-2)14-7-9-15(18)10-8-14/h5-11,16,20H,3-4,12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine?
1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 288.82 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 82732749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).