1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine

C17H20N2 — CID 114602876

IUPAC1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine
SMILESNC(Cc1cccnc1)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H20N2/c18-17(10-13-4-3-9-19-12-13)16-8-2-7-15(11-16)14-5-1-6-14/h2-4,7-9,11-12,14,17H,1,5-6,10,18H2
InChIKeyPWICIBYJYZKUSV-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.59
Rot. Bonds4

About 1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine

1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine (PubChem CID 114602876) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine
PubChem CID114602876
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine
SMILESNC(Cc1cccnc1)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H20N2/c18-17(10-13-4-3-9-19-12-13)16-8-2-7-15(11-16)14-5-1-6-14/h2-4,7-9,11-12,14,17H,1,5-6,10,18H2
InChIKeyPWICIBYJYZKUSV-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine
CID 114602829
1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-3-ylethanamine
CID 105034568
2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62791242
[1-(3-cyclobutylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212360
(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
CID 102923950
3-amino-3-(3-cyclobutylphenyl)propanoic acid
CID 83837155
1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine
CID 114603248
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine
CID 114603312
(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine (CID 114602876) is 1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine is NC(Cc1cccnc1)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine?
The InChIKey is PWICIBYJYZKUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-17(10-13-4-3-9-19-12-13)16-8-2-7-15(11-16)14-5-1-6-14/h2-4,7-9,11-12,14,17H,1,5-6,10,18H2.
What are the key properties of 1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine?
1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 114602876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).