(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine

C19H24ClN — CID 63523104

IUPAC(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
SMILESCc1ccc(C(N)c2c(C)c(C)c(C)c(C)c2C)cc1Cl
InChIInChI=1S/C19H24ClN/c1-10-7-8-16(9-17(10)20)19(21)18-14(5)12(3)11(2)13(4)15(18)6/h7-9,19H,21H2,1-6H3
InChIKeyRQLAKJXCEGLCTC-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.24
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine

(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine (PubChem CID 63523104) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
PubChem CID63523104
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
SMILESCc1ccc(C(N)c2c(C)c(C)c(C)c(C)c2C)cc1Cl
InChIInChI=1S/C19H24ClN/c1-10-7-8-16(9-17(10)20)19(21)18-14(5)12(3)11(2)13(4)15(18)6/h7-9,19H,21H2,1-6H3
InChIKeyRQLAKJXCEGLCTC-UHFFFAOYSA-N
XLogP5.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluoro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43109404
(3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 103219936
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine
CID 103946952
(2,6-dichlorophenyl)-(3,4-dimethylphenyl)methanamine
CID 43149184
(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822542
2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine
CID 67751843
(4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine
CID 107560292
(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine
CID 107560529
(3-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 63194485
(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860386

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine (CID 63523104) is (3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine is Cc1ccc(C(N)c2c(C)c(C)c(C)c(C)c2C)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
The InChIKey is RQLAKJXCEGLCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-10-7-8-16(9-17(10)20)19(21)18-14(5)12(3)11(2)13(4)15(18)6/h7-9,19H,21H2,1-6H3.
What are the key properties of (3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine has a molecular weight of 301.86 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine is sourced from PubChem (CID 63523104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).