(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine

C17H20ClN — CID 115483715

IUPAC(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2cc(C)c(C)cc2Cl)c1
InChIInChI=1S/C17H20ClN/c1-10-5-11(2)7-14(6-10)17(19)15-8-12(3)13(4)9-16(15)18/h5-9,17H,19H2,1-4H3
InChIKeyNQNYGMOXYLFHRY-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.62
Rot. Bonds2

About (2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine

(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine (PubChem CID 115483715) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
PubChem CID115483715
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2cc(C)c(C)cc2Cl)c1
InChIInChI=1S/C17H20ClN/c1-10-5-11(2)7-14(6-10)17(19)15-8-12(3)13(4)9-16(15)18/h5-9,17H,19H2,1-4H3
InChIKeyNQNYGMOXYLFHRY-UHFFFAOYSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115483792
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
bis(3,5-dimethylphenyl)methanamine
CID 115796405
(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032704
(3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine
CID 81323932
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115483649
(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 105398601
(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 43149143
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
CID 107515958
(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483655

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine (CID 115483715) is (2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc(C(N)c2cc(C)c(C)cc2Cl)c1.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine?
The InChIKey is NQNYGMOXYLFHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-10-5-11(2)7-14(6-10)17(19)15-8-12(3)13(4)9-16(15)18/h5-9,17H,19H2,1-4H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine?
(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine has a molecular weight of 273.81 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 115483715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).