N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane

C31H53N — CID 158178381

IUPACN-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane
SMILESC.CC(C)(C)C.CC(C)Cc1ccc(C(NC(C)(C)C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C25H37N.C5H12.CH4/c1-18(2)16-20-8-12-22(13-9-20)24(26-25(5,6)7)23-14-10-21(11-15-23)17-19(3)4;1-5(2,3)4;/h8-15,18-19,24,26H,16-17H2,1-7H3;1-4H3;1H4
InChIKeyFYGTXUQSSUVXOW-UHFFFAOYSA-N
MW439.77 g/mol
LogP9.25
Rot. Bonds7

About N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane

N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane (PubChem CID 158178381) has the molecular formula C31H53N and a molecular weight of 439.77 g/mol. Its IUPAC name is N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane.

Molecular Properties

Compound NameN-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane
PubChem CID158178381
Molecular FormulaC31H53N
Molecular Weight439.77 g/mol
Exact Mass439.42
IUPAC NameN-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane
SMILESC.CC(C)(C)C.CC(C)Cc1ccc(C(NC(C)(C)C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C25H37N.C5H12.CH4/c1-18(2)16-20-8-12-22(13-9-20)24(26-25(5,6)7)23-14-10-21(11-15-23)17-19(3)4;1-5(2,3)4;/h8-15,18-19,24,26H,16-17H2,1-7H3;1-4H3;1H4
InChIKeyFYGTXUQSSUVXOW-UHFFFAOYSA-N
XLogP9.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.77
LogP ≤ 59.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane 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

2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine
CID 45253324
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146
N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
CID 79212501
1-(4-methoxyphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480574
tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate
CID 10516674
N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 107597117
2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile
CID 60647965

Frequently Asked Questions

What is the IUPAC name of N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane?
The IUPAC name of N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane (CID 158178381) is N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane.
What is the SMILES notation for N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane?
The canonical SMILES for N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane is C.CC(C)(C)C.CC(C)Cc1ccc(C(NC(C)(C)C)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane?
The InChIKey is FYGTXUQSSUVXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N.C5H12.CH4/c1-18(2)16-20-8-12-22(13-9-20)24(26-25(5,6)7)23-14-10-21(11-15-23)17-19(3)4;1-5(2,3)4;/h8-15,18-19,24,26H,16-17H2,1-7H3;1-4H3;1H4.
What are the key properties of N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane?
N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane has a molecular weight of 439.77 g/mol, XLogP of 9.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane is sourced from PubChem (CID 158178381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).