N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine

C21H29N — CID 138685115

IUPACN-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine
SMILESCCCCNC(C)(C)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H29N/c1-4-5-17-22-21(2,3)16-15-18-11-13-20(14-12-18)19-9-7-6-8-10-19/h6-14,22H,4-5,15-17H2,1-3H3
InChIKeyIFUZZOCUMNZELP-UHFFFAOYSA-N
MW295.47 g/mol
LogP5.45
Rot. Bonds8

About N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine

N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine (PubChem CID 138685115) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine
PubChem CID138685115
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC NameN-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine
SMILESCCCCNC(C)(C)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H29N/c1-4-5-17-22-21(2,3)16-15-18-11-13-20(14-12-18)19-9-7-6-8-10-19/h6-14,22H,4-5,15-17H2,1-3H3
InChIKeyIFUZZOCUMNZELP-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine 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-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
1-pentadecyl-4-phenylbenzene
CID 57166115
1-butyl-4-phenylbenzene;ethane
CID 143743409
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
CID 113231354
N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
CID 115997324
2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile
CID 106709606
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine
CID 19865267
N-benzyl-2-methylnonan-2-amine
CID 54410414
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine
CID 115134703

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine?
The IUPAC name of N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine (CID 138685115) is N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine.
What is the SMILES notation for N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine?
The canonical SMILES for N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine is CCCCNC(C)(C)CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine?
The InChIKey is IFUZZOCUMNZELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-4-5-17-22-21(2,3)16-15-18-11-13-20(14-12-18)19-9-7-6-8-10-19/h6-14,22H,4-5,15-17H2,1-3H3.
What are the key properties of N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine?
N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine has a molecular weight of 295.47 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine is sourced from PubChem (CID 138685115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).