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

C18H23N — CID 66259187

IUPAC[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine
SMILESCCC(C)(C)c1ccc(-c2ccc(CN)cc2)cc1
InChIInChI=1S/C18H23N/c1-4-18(2,3)17-11-9-16(10-12-17)15-7-5-14(13-19)6-8-15/h5-12H,4,13,19H2,1-3H3
InChIKeyXWPXWWDPHSHCST-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.50
Rot. Bonds4

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

[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine (PubChem CID 66259187) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is [4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine
PubChem CID66259187
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine
SMILESCCC(C)(C)c1ccc(-c2ccc(CN)cc2)cc1
InChIInChI=1S/C18H23N/c1-4-18(2,3)17-11-9-16(10-12-17)15-7-5-14(13-19)6-8-15/h5-12H,4,13,19H2,1-3H3
InChIKeyXWPXWWDPHSHCST-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
[4-(4-ethylphenyl)phenyl]methanamine;hydrochloride
CID 178203189
1-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]propan-1-amine
CID 66258612
[4-(1,1-difluoropropyl)phenyl]methanamine
CID 67499237
1-benzyl-4-(2-methylbutan-2-yl)benzene
CID 54402390
4-[2-[4-(aminomethyl)phenyl]-2-methylpropyl]phenol
CID 174702747
[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine
CID 28966135
methane;[4-(2-methylbutan-2-yl)phenyl]methanesulfonic acid
CID 158803817
2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
(2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol
CID 130627760
2-methyl-2-(4-phenylphenyl)propan-1-amine
CID 56687090
[3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine
CID 173453881

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine?
The IUPAC name of [4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine (CID 66259187) is [4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine.
What is the SMILES notation for [4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine?
The canonical SMILES for [4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine is CCC(C)(C)c1ccc(-c2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine?
The InChIKey is XWPXWWDPHSHCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-18(2,3)17-11-9-16(10-12-17)15-7-5-14(13-19)6-8-15/h5-12H,4,13,19H2,1-3H3.
What are the key properties of [4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine?
[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine has a molecular weight of 253.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine is sourced from PubChem (CID 66259187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).