N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine

C18H21ClN2 — CID 103444478

IUPACN-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)c1ncccc1Cl
InChIInChI=1S/C18H21ClN2/c1-2-20-17(18-16(19)7-4-12-21-18)15-10-8-14(9-11-15)13-5-3-6-13/h4,7-13,17,20H,2-3,5-6H2,1H3
InChIKeyWBBASFWZTXVXCW-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.70
Rot. Bonds5

About N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine

N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine (PubChem CID 103444478) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine
PubChem CID103444478
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC NameN-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)c1ncccc1Cl
InChIInChI=1S/C18H21ClN2/c1-2-20-17(18-16(19)7-4-12-21-18)15-10-8-14(9-11-15)13-5-3-6-13/h4,7-13,17,20H,2-3,5-6H2,1H3
InChIKeyWBBASFWZTXVXCW-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine 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

N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 116506386
[(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263897
N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
CID 103444575
N-[(3-chloro-2-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 103444524
N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923880
(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 116506425
N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 103444423
N-[(4-cyclobutylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 116506103
N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 103444898
N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 116506363
[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]hydrazine
CID 105257937
N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 103444525

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine (CID 103444478) is N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine is CCNC(c1ccc(C2CCC2)cc1)c1ncccc1Cl.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine?
The InChIKey is WBBASFWZTXVXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-2-20-17(18-16(19)7-4-12-21-18)15-10-8-14(9-11-15)13-5-3-6-13/h4,7-13,17,20H,2-3,5-6H2,1H3.
What are the key properties of N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine?
N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine has a molecular weight of 300.83 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine is sourced from PubChem (CID 103444478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).