(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine

C18H22ClN — CID 106857421

IUPAC(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(C(C)(C)C)cc2)c(Cl)c1
InChIInChI=1S/C18H22ClN/c1-12-5-10-15(16(19)11-12)17(20)13-6-8-14(9-7-13)18(2,3)4/h5-11,17H,20H2,1-4H3
InChIKeyIGJZFOJMNKDHFY-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.99
Rot. Bonds2

About (4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine

(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine (PubChem CID 106857421) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
PubChem CID106857421
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(C(C)(C)C)cc2)c(Cl)c1
InChIInChI=1S/C18H22ClN/c1-12-5-10-15(16(19)11-12)17(20)13-6-8-14(9-7-13)18(2,3)4/h5-11,17H,20H2,1-4H3
InChIKeyIGJZFOJMNKDHFY-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[bromo-(4-tert-butylphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863049
(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine
CID 106857422
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
CID 81110803
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
CID 106857071
(2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 106857827
(1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol
CID 147216936
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 61273169
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
(1S)-1-(2-chloro-4-methylphenyl)-2,2,2-trifluoroethanamine
CID 66511493

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine?
The IUPAC name of (4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine (CID 106857421) is (4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine.
What is the SMILES notation for (4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine?
The canonical SMILES for (4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2ccc(C(C)(C)C)cc2)c(Cl)c1.
What is the InChIKey of (4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine?
The InChIKey is IGJZFOJMNKDHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-12-5-10-15(16(19)11-12)17(20)13-6-8-14(9-7-13)18(2,3)4/h5-11,17H,20H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine?
(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine has a molecular weight of 287.83 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine is sourced from PubChem (CID 106857421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).