2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline

C18H23N — CID 43094637

IUPAC2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
SMILESCc1ccc(C)c(NC(C)CCc2ccccc2)c1
InChIInChI=1S/C18H23N/c1-14-9-10-15(2)18(13-14)19-16(3)11-12-17-7-5-4-6-8-17/h4-10,13,16,19H,11-12H2,1-3H3
InChIKeyVDDURNWAKGSZNO-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.74
Rot. Bonds5

About 2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline

2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline (PubChem CID 43094637) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
PubChem CID43094637
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
SMILESCc1ccc(C)c(NC(C)CCc2ccccc2)c1
InChIInChI=1S/C18H23N/c1-14-9-10-15(2)18(13-14)19-16(3)11-12-17-7-5-4-6-8-17/h4-10,13,16,19H,11-12H2,1-3H3
InChIKeyVDDURNWAKGSZNO-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-dimethyl-N-(4-phenylbutan-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

4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43104795
N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine
CID 60657519
2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 103585001
4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43717102
5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 107591356
4-(2,5-dimethylanilino)pentan-1-ol
CID 115976106
2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7777692
2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 63425771
2-iodo-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 63421833
2,5-dimethyl-N-(4-phenylbutyl)aniline
CID 114333158
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 43098311
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline?
The IUPAC name of 2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline (CID 43094637) is 2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline.
What is the SMILES notation for 2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline?
The canonical SMILES for 2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline is Cc1ccc(C)c(NC(C)CCc2ccccc2)c1.
What is the InChIKey of 2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline?
The InChIKey is VDDURNWAKGSZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14-9-10-15(2)18(13-14)19-16(3)11-12-17-7-5-4-6-8-17/h4-10,13,16,19H,11-12H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline?
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline has a molecular weight of 253.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline is sourced from PubChem (CID 43094637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).