1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine

C17H22N2 — CID 105101899

IUPAC1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
SMILESCCc1ccc(CC(N)CCc2cccnc2)cc1
InChIInChI=1S/C17H22N2/c1-2-14-5-7-15(8-6-14)12-17(18)10-9-16-4-3-11-19-13-16/h3-8,11,13,17H,2,9-10,12,18H2,1H3
InChIKeyPBCRMOCYELRPNF-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.15
Rot. Bonds6

About 1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine

1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine (PubChem CID 105101899) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
PubChem CID105101899
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
SMILESCCc1ccc(CC(N)CCc2cccnc2)cc1
InChIInChI=1S/C17H22N2/c1-2-14-5-7-15(8-6-14)12-17(18)10-9-16-4-3-11-19-13-16/h3-8,11,13,17H,2,9-10,12,18H2,1H3
InChIKeyPBCRMOCYELRPNF-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-3-ylhexan-3-amine
CID 64506028
6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244
4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121222
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105122507
1-pyridin-3-ylundecan-2-amine
CID 62603230
4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009787
4-ethoxy-1-pyridin-3-ylbutan-2-amine
CID 112688280
3-ethylpyridine
CID 10823
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690
1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine
CID 105135401
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105180686

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine (CID 105101899) is 1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine is CCc1ccc(CC(N)CCc2cccnc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine?
The InChIKey is PBCRMOCYELRPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-14-5-7-15(8-6-14)12-17(18)10-9-16-4-3-11-19-13-16/h3-8,11,13,17H,2,9-10,12,18H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine?
1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105101899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).