1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine

C18H20ClN — CID 116506610

IUPAC1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H20ClN/c1-20-12-16-11-17(19)9-10-18(16)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,20H,2-4,12H2,1H3
InChIKeyIIPASBJAVQWJRW-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.99
Rot. Bonds4

About 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine (PubChem CID 116506610) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine
PubChem CID116506610
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H20ClN/c1-20-12-16-11-17(19)9-10-18(16)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,20H,2-4,12H2,1H3
InChIKeyIIPASBJAVQWJRW-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 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 ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-Chloranyl-4-(2-ethylphenyl)phenyl]methanamine
CID 132281885
N'-[[4-(4-chlorophenyl)phenyl]methyl]-N'-methylbutane-1,4-diamine
CID 44534320
(2-(3,4-dichlorobenzyl)phenyl)-N-methylmethanamine
CID 44568652
(2-(3,4-dichlorobenzyl)phenyl)-N,N-dimethylmethanamine
CID 44568653
(+/-)-(2-(1-(3,4-dichlorophenyl)ethyl)phenyl)-N,N-dimethylmethanamine
CID 44568689
[4-(3-chlorophenyl)phenyl]methyl-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium iodide
CID 71452091
[4-(4-chlorophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium iodide
CID 71459523
[4-(3-chlorophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium iodide
CID 71461075
[4-(3-chlorophenyl)phenyl]methyl-[[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium iodide
CID 71462811
(E)-3-(4-chlorophenyl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 127044980
N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 137649161
trans-(1S,2R)-N-[(3-chloro-4-methylphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 145983937

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine (CID 116506610) is 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1-c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine?
The InChIKey is IIPASBJAVQWJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-20-12-16-11-17(19)9-10-18(16)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,20H,2-4,12H2,1H3.
What are the key properties of 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine has a molecular weight of 285.82 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 116506610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).