1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine

C19H22ClN — CID 105053787

IUPAC1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C2CCC2)c1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C19H22ClN/c1-13-11-17(9-10-18(13)20)19(21-2)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-12,14,19,21H,3,5-6H2,1-2H3
InChIKeyFZCCHNUDXUHTKQ-UHFFFAOYSA-N
MW299.85 g/mol
LogP5.22
Rot. Bonds4

About 1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine

1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine (PubChem CID 105053787) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
PubChem CID105053787
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C2CCC2)c1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C19H22ClN/c1-13-11-17(9-10-18(13)20)19(21-2)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-12,14,19,21H,3,5-6H2,1-2H3
InChIKeyFZCCHNUDXUHTKQ-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
CID 106693358
1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine
CID 105053633
N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 114602617
1-(3-cyclobutylphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 105053588
1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105045036
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine
CID 105044946
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836307
1-(3-cyclobutylphenyl)-1-cyclopentyl-N-methylmethanamine
CID 114602754
[(3-cyclobutylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105342013
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
[(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]hydrazine
CID 105341956

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine (CID 105053787) is 1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine is CNC(c1cccc(C2CCC2)c1)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine?
The InChIKey is FZCCHNUDXUHTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-13-11-17(9-10-18(13)20)19(21-2)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-12,14,19,21H,3,5-6H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine?
1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine has a molecular weight of 299.85 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105053787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).