1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine

C18H23ClN2 — CID 106867781

IUPAC1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
SMILESCCNC(CCc1cccnc1)Cc1ccc(C)cc1Cl
InChIInChI=1S/C18H23ClN2/c1-3-21-17(9-7-15-5-4-10-20-13-15)12-16-8-6-14(2)11-18(16)19/h4-6,8,10-11,13,17,21H,3,7,9,12H2,1-2H3
InChIKeyZVEXNZVOAYIDKX-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.20
Rot. Bonds7

About 1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine

1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine (PubChem CID 106867781) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
PubChem CID106867781
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
SMILESCCNC(CCc1cccnc1)Cc1ccc(C)cc1Cl
InChIInChI=1S/C18H23ClN2/c1-3-21-17(9-7-15-5-4-10-20-13-15)12-16-8-6-14(2)11-18(16)19/h4-6,8,10-11,13,17,21H,3,7,9,12H2,1-2H3
InChIKeyZVEXNZVOAYIDKX-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 106867485
1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
CID 106868066
[1-(2-chloro-4-methylphenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 106868440
1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105181723
1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105089943
1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105105357
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
[1-(4-bromo-2-chlorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105335245
1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 60819236
1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 106867468
[1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105287766

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine (CID 106867781) is 1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine is CCNC(CCc1cccnc1)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
The InChIKey is ZVEXNZVOAYIDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-3-21-17(9-7-15-5-4-10-20-13-15)12-16-8-6-14(2)11-18(16)19/h4-6,8,10-11,13,17,21H,3,7,9,12H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine has a molecular weight of 302.85 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 106867781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).