N-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine

C17H20ClN3 — CID 142580452

IUPACN-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine
SMILESCC(NCc1ccc(Cl)cc1)c1ccc2c(n1)CCCN2
InChIInChI=1S/C17H20ClN3/c1-12(20-11-13-4-6-14(18)7-5-13)15-8-9-16-17(21-15)3-2-10-19-16/h4-9,12,19-20H,2-3,10-11H2,1H3
InChIKeyHATUGXPJQSVILY-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.94
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine

N-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine (PubChem CID 142580452) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine
PubChem CID142580452
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine
SMILESCC(NCc1ccc(Cl)cc1)c1ccc2c(n1)CCCN2
InChIInChI=1S/C17H20ClN3/c1-12(20-11-13-4-6-14(18)7-5-13)15-8-9-16-17(21-15)3-2-10-19-16/h4-9,12,19-20H,2-3,10-11H2,1H3
InChIKeyHATUGXPJQSVILY-UHFFFAOYSA-N
XLogP3.94
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
(1S)-1-(4-chlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115524132
N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950390
2-propan-2-yl-7-[2-(1,2,3,4-tetrahydroquinolin-6-yl)propyl]quinoline
CID 138657133
5,6,7,8-tetrahydro-1,5-naphthyridin-2-amine
CID 130119178
(1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911528
6-pyridazin-4-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 135388024
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 142484556
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
CID 43183248

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine (CID 142580452) is N-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine is CC(NCc1ccc(Cl)cc1)c1ccc2c(n1)CCCN2.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine?
The InChIKey is HATUGXPJQSVILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-12(20-11-13-4-6-14(18)7-5-13)15-8-9-16-17(21-15)3-2-10-19-16/h4-9,12,19-20H,2-3,10-11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine?
N-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine has a molecular weight of 301.82 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethanamine is sourced from PubChem (CID 142580452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).