N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine

C17H22N2 — CID 54332382

IUPACN-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine
SMILESCCCCNCCc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C17H22N2/c1-2-3-11-18-13-10-15-6-8-16(9-7-15)17-5-4-12-19-14-17/h4-9,12,14,18H,2-3,10-11,13H2,1H3
InChIKeySZFZQHXOGMECAM-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.68
Rot. Bonds7

About N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine

N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine (PubChem CID 54332382) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine
PubChem CID54332382
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine
SMILESCCCCNCCc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C17H22N2/c1-2-3-11-18-13-10-15-6-8-16(9-7-15)17-5-4-12-19-14-17/h4-9,12,14,18H,2-3,10-11,13H2,1H3
InChIKeySZFZQHXOGMECAM-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
3-[4-(4-but-3-enylphenyl)phenyl]pyridine
CID 142377075
5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 35216489
N-methyl-3-(4-pyridin-3-ylphenyl)propanamide
CID 58452186
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
CID 155119456
3-azulen-6-ylpyridine
CID 86232079
3-(4-octoxyphenyl)pyridine
CID 90176946
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
3-[2-(4-phenylphenyl)ethylamino]propan-1-ol
CID 115217026

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine?
The IUPAC name of N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine (CID 54332382) is N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine is CCCCNCCc1ccc(-c2cccnc2)cc1.
What is the InChIKey of N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine?
The InChIKey is SZFZQHXOGMECAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-3-11-18-13-10-15-6-8-16(9-7-15)17-5-4-12-19-14-17/h4-9,12,14,18H,2-3,10-11,13H2,1H3.
What are the key properties of N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine?
N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine is sourced from PubChem (CID 54332382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).