N-benzhydryl-2,6-di(propan-2-yl)aniline

C25H29N — CID 100979408

IUPACN-benzhydryl-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N/c1-18(2)22-16-11-17-23(19(3)4)25(22)26-24(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19,24,26H,1-4H3
InChIKeyWWZCUCULNZGJSE-UHFFFAOYSA-N
MW343.51 g/mol
LogP7.13
Rot. Bonds6

About N-benzhydryl-2,6-di(propan-2-yl)aniline

N-benzhydryl-2,6-di(propan-2-yl)aniline (PubChem CID 100979408) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is N-benzhydryl-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-benzhydryl-2,6-di(propan-2-yl)aniline
PubChem CID100979408
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC NameN-benzhydryl-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N/c1-18(2)22-16-11-17-23(19(3)4)25(22)26-24(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19,24,26H,1-4H3
InChIKeyWWZCUCULNZGJSE-UHFFFAOYSA-N
XLogP7.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzhydryl-2,6-di(propan-2-yl)aniline 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

N-[phenyl-[6-[tri(propan-2-yl)-λ4-sulfanyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline
CID 155246140
N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 20637527
N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline
CID 606420
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 58933167
N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 59760636
N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 58933179
6-[2-[[2,6-di(propan-2-yl)anilino]-phenylmethyl]-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-ol
CID 71089292
N-[[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 58933136
N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline
CID 130177836
N-[2,6-di(propan-2-yl)phenyl]-2-[[(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 19874968
1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine
CID 18441404
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide
CID 22691784

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-benzhydryl-2,6-di(propan-2-yl)aniline (CID 100979408) is N-benzhydryl-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-benzhydryl-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-benzhydryl-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2,6-di(propan-2-yl)aniline?
The InChIKey is WWZCUCULNZGJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N/c1-18(2)22-16-11-17-23(19(3)4)25(22)26-24(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19,24,26H,1-4H3.
What are the key properties of N-benzhydryl-2,6-di(propan-2-yl)aniline?
N-benzhydryl-2,6-di(propan-2-yl)aniline has a molecular weight of 343.51 g/mol, XLogP of 7.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 100979408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).