[4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine

C19H25N — CID 66258782

IUPAC[4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine
SMILESCCC(C)(C)c1ccc(C(N)c2cccc(C)c2)cc1
InChIInChI=1S/C19H25N/c1-5-19(3,4)17-11-9-15(10-12-17)18(20)16-8-6-7-14(2)13-16/h6-13,18H,5,20H2,1-4H3
InChIKeyJQXBIBVPZCCGCT-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.73
Rot. Bonds4

About [4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine

[4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine (PubChem CID 66258782) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine
PubChem CID66258782
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name[4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine
SMILESCCC(C)(C)c1ccc(C(N)c2cccc(C)c2)cc1
InChIInChI=1S/C19H25N/c1-5-19(3,4)17-11-9-15(10-12-17)18(20)16-8-6-7-14(2)13-16/h6-13,18H,5,20H2,1-4H3
InChIKeyJQXBIBVPZCCGCT-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine
CID 66259750
(4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine
CID 106848621
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
(3-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156097
(2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 66259744
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 66258008
N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane
CID 142315173
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine
CID 115790064

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine (CID 66258782) is [4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine is CCC(C)(C)c1ccc(C(N)c2cccc(C)c2)cc1.
What is the InChIKey of [4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine?
The InChIKey is JQXBIBVPZCCGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-5-19(3,4)17-11-9-15(10-12-17)18(20)16-8-6-7-14(2)13-16/h6-13,18H,5,20H2,1-4H3.
What are the key properties of [4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine?
[4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine has a molecular weight of 267.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine is sourced from PubChem (CID 66258782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).