2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine

C18H20ClN — CID 114602829

IUPAC2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine
SMILESNC(Cc1ccccc1Cl)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H20ClN/c19-17-10-2-1-5-15(17)12-18(20)16-9-4-8-14(11-16)13-6-3-7-13/h1-2,4-5,8-11,13,18H,3,6-7,12,20H2
InChIKeyYRSRCOMLPXEYFF-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.85
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine

2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine (PubChem CID 114602829) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine
PubChem CID114602829
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine
SMILESNC(Cc1ccccc1Cl)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H20ClN/c19-17-10-2-1-5-15(17)12-18(20)16-9-4-8-14(11-16)13-6-3-7-13/h1-2,4-5,8-11,13,18H,3,6-7,12,20H2
InChIKeyYRSRCOMLPXEYFF-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine
CID 114602876
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine
CID 114603248
3-amino-3-(3-cyclobutylphenyl)propanoic acid
CID 83837155
(3-cyclobutylphenyl)-(2-ethylphenyl)methanamine
CID 105053789
(3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine
CID 103443956
1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine
CID 114603312
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
1-(3-cyclobutylphenyl)-2-(2-methylphenyl)ethanol
CID 114602192
(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride
CID 170919041
1-(3-cyclobutylphenyl)-2-methylbutan-1-amine
CID 114603023
(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
CID 102923950

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine (CID 114602829) is 2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine is NC(Cc1ccccc1Cl)c1cccc(C2CCC2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine?
The InChIKey is YRSRCOMLPXEYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c19-17-10-2-1-5-15(17)12-18(20)16-9-4-8-14(11-16)13-6-3-7-13/h1-2,4-5,8-11,13,18H,3,6-7,12,20H2.
What are the key properties of 2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine?
2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine has a molecular weight of 285.82 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine is sourced from PubChem (CID 114602829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).