4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine

C17H21ClN2 — CID 90681228

IUPAC4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine
SMILESCN(C)CCCC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C17H21ClN2/c1-20(2)13-5-6-16(17-7-3-4-12-19-17)14-8-10-15(18)11-9-14/h3-4,7-12,16H,5-6,13H2,1-2H3
InChIKeyHRRJJHUYGOZLPF-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.21
Rot. Bonds6

About 4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine

4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine (PubChem CID 90681228) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine
PubChem CID90681228
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine
SMILESCN(C)CCCC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C17H21ClN2/c1-20(2)13-5-6-16(17-7-3-4-12-19-17)14-8-10-15(18)11-9-14/h3-4,7-12,16H,5-6,13H2,1-2H3
InChIKeyHRRJJHUYGOZLPF-UHFFFAOYSA-N
XLogP4.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-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

(3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine
CID 131708765
calcium;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 69305247
(3R)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;2-hydroxybutanedioic acid
CID 69128691
(3R)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
CID 6328079
(3R)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3,5-dinitrobenzoic acid
CID 169436384
3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3,7-dimethylpurine-2,6-dione
CID 53235529
1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine
CID 57132350
(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
CID 125488138
N,N-dimethyl-2-phenyl-2-pyridin-2-ylethanamine;hydrochloride
CID 54610221
(3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(Z)-but-2-enedioic acid
CID 6433334
(3R)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(Z)-but-2-enedioic acid
CID 52949763
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine
CID 142144018

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine?
The IUPAC name of 4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine (CID 90681228) is 4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine is CN(C)CCCC(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine?
The InChIKey is HRRJJHUYGOZLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-20(2)13-5-6-16(17-7-3-4-12-19-17)14-8-10-15(18)11-9-14/h3-4,7-12,16H,5-6,13H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine?
4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine has a molecular weight of 288.82 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine is sourced from PubChem (CID 90681228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).