N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine

C13H18ClN — CID 115690120

IUPACN-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
SMILESClc1ccccc1CNCCC1CCC1
InChIInChI=1S/C13H18ClN/c14-13-7-2-1-6-12(13)10-15-9-8-11-4-3-5-11/h1-2,6-7,11,15H,3-5,8-10H2
InChIKeyNWRYBXSLERWXCV-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.62
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine

N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine (PubChem CID 115690120) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
PubChem CID115690120
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
SMILESClc1ccccc1CNCCC1CCC1
InChIInChI=1S/C13H18ClN/c14-13-7-2-1-6-12(13)10-15-9-8-11-4-3-5-11/h1-2,6-7,11,15H,3-5,8-10H2
InChIKeyNWRYBXSLERWXCV-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(1,1-dioxothiolan-3-yl)ethanamine
CID 90100839
1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine
CID 106122381
2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol
CID 114136728
2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
CID 115908380
1-chloro-2-(2-cyclohexylethyl)benzene
CID 57280256
2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 60733626
2-cyclohexyl-N-[(2-trimethylsilylphenyl)methyl]ethanamine;hydrochloride
CID 156624699
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine
CID 115748530
2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine
CID 103748737
N-[(2-chloro-5-nitrophenyl)methyl]-2-cyclohexylethanamine
CID 63448659
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine (CID 115690120) is N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine is Clc1ccccc1CNCCC1CCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine?
The InChIKey is NWRYBXSLERWXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c14-13-7-2-1-6-12(13)10-15-9-8-11-4-3-5-11/h1-2,6-7,11,15H,3-5,8-10H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine?
N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine has a molecular weight of 223.75 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine is sourced from PubChem (CID 115690120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).