3-(4-pyridin-4-ylphenyl)butan-1-amine

C15H18N2 — CID 82542949

IUPAC3-(4-pyridin-4-ylphenyl)butan-1-amine
SMILESCC(CCN)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C15H18N2/c1-12(6-9-16)13-2-4-14(5-3-13)15-7-10-17-11-8-15/h2-5,7-8,10-12H,6,9,16H2,1H3
InChIKeyKUASECMMNHZOPK-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.20
Rot. Bonds4

About 3-(4-pyridin-4-ylphenyl)butan-1-amine

3-(4-pyridin-4-ylphenyl)butan-1-amine (PubChem CID 82542949) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(4-pyridin-4-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(4-pyridin-4-ylphenyl)butan-1-amine
PubChem CID82542949
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3-(4-pyridin-4-ylphenyl)butan-1-amine
SMILESCC(CCN)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C15H18N2/c1-12(6-9-16)13-2-4-14(5-3-13)15-7-10-17-11-8-15/h2-5,7-8,10-12H,6,9,16H2,1H3
InChIKeyKUASECMMNHZOPK-UHFFFAOYSA-N
XLogP3.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine
CID 82542632
3-[4-(difluoromethyl)phenyl]butan-1-amine
CID 117288660
(1R)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171200262
(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171219797
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542814
[4-(4-aminobutan-2-yl)phenyl]methanol
CID 84767971
3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine
CID 82542752
4-[(2R)-4-aminobutan-2-yl]benzamide
CID 70592711
4-[4-(4-aminobutan-2-yl)phenoxy]aniline
CID 116996697
3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542631
4-pyridin-4-ylpentan-2-amine
CID 112714269

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-4-ylphenyl)butan-1-amine?
The IUPAC name of 3-(4-pyridin-4-ylphenyl)butan-1-amine (CID 82542949) is 3-(4-pyridin-4-ylphenyl)butan-1-amine.
What is the SMILES notation for 3-(4-pyridin-4-ylphenyl)butan-1-amine?
The canonical SMILES for 3-(4-pyridin-4-ylphenyl)butan-1-amine is CC(CCN)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 3-(4-pyridin-4-ylphenyl)butan-1-amine?
The InChIKey is KUASECMMNHZOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12(6-9-16)13-2-4-14(5-3-13)15-7-10-17-11-8-15/h2-5,7-8,10-12H,6,9,16H2,1H3.
What are the key properties of 3-(4-pyridin-4-ylphenyl)butan-1-amine?
3-(4-pyridin-4-ylphenyl)butan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-4-ylphenyl)butan-1-amine is sourced from PubChem (CID 82542949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).