1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine

C17H22N2 — CID 105188013

IUPAC1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine
SMILESCCCc1cccc(C(N)CCc2ccncc2)c1
InChIInChI=1S/C17H22N2/c1-2-4-15-5-3-6-16(13-15)17(18)8-7-14-9-11-19-12-10-14/h3,5-6,9-13,17H,2,4,7-8,18H2,1H3
InChIKeyRGUAQYZULSRBCC-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.67
Rot. Bonds6

About 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine

1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine (PubChem CID 105188013) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine
PubChem CID105188013
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine
SMILESCCCc1cccc(C(N)CCc2ccncc2)c1
InChIInChI=1S/C17H22N2/c1-2-4-15-5-3-6-16(13-15)17(18)8-7-14-9-11-19-12-10-14/h3,5-6,9-13,17H,2,4,7-8,18H2,1H3
InChIKeyRGUAQYZULSRBCC-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105086648
3-(furan-2-yl)-1-(3-propylphenyl)propan-1-amine
CID 105187906
1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105187931
1-(3-propylphenyl)ethanamine
CID 116543909
1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 116544087
3-methyl-1-(3-propylphenyl)pentan-1-amine
CID 105050445
1-(3-ethylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 105018704
1-pyridin-4-ylhexan-3-amine
CID 105080578
2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine
CID 116544446
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone
CID 75598820
2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine
CID 116544264

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine (CID 105188013) is 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine is CCCc1cccc(C(N)CCc2ccncc2)c1.
What is the InChIKey of 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine?
The InChIKey is RGUAQYZULSRBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-4-15-5-3-6-16(13-15)17(18)8-7-14-9-11-19-12-10-14/h3,5-6,9-13,17H,2,4,7-8,18H2,1H3.
What are the key properties of 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine?
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 105188013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).