(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine

C18H22ClN — CID 105050742

IUPAC(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCc1cc(C(N)c2cccc(CC(C)C)c2)ccc1Cl
InChIInChI=1S/C18H22ClN/c1-12(2)9-14-5-4-6-15(11-14)18(20)16-7-8-17(19)13(3)10-16/h4-8,10-12,18H,9,20H2,1-3H3
InChIKeyJCMIFYKAZGMRCC-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.90
Rot. Bonds4

About (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine

(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 105050742) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID105050742
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCc1cc(C(N)c2cccc(CC(C)C)c2)ccc1Cl
InChIInChI=1S/C18H22ClN/c1-12(2)9-14-5-4-6-15(11-14)18(20)16-7-8-17(19)13(3)10-16/h4-8,10-12,18H,9,20H2,1-3H3
InChIKeyJCMIFYKAZGMRCC-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838225
(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 114330154
(4-chloro-3-methylphenyl)-phenylmethanamine
CID 71247470
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817
[(3-chloro-4-methylphenyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105340693
(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050632
(3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544792
[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
CID 116545007
1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
CID 143509041
(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050773

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine (CID 105050742) is (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine is Cc1cc(C(N)c2cccc(CC(C)C)c2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is JCMIFYKAZGMRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-12(2)9-14-5-4-6-15(11-14)18(20)16-7-8-17(19)13(3)10-16/h4-8,10-12,18H,9,20H2,1-3H3.
What are the key properties of (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 287.83 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 105050742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).