N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine

C15H25N — CID 65308675

IUPACN-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine
SMILESCCNCC(C)(C)CCc1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-5-16-12-15(3,4)11-10-14-8-6-13(2)7-9-14/h6-9,16H,5,10-12H2,1-4H3
InChIKeyOMAGGSPRPSKEMT-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.56
Rot. Bonds6

About N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine

N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine (PubChem CID 65308675) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine
PubChem CID65308675
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine
SMILESCCNCC(C)(C)CCc1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-5-16-12-15(3,4)11-10-14-8-6-13(2)7-9-14/h6-9,16H,5,10-12H2,1-4H3
InChIKeyOMAGGSPRPSKEMT-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-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-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine
CID 62726135
N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65308504
4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65308819
1-(4-iodo-3,3-dimethylbutyl)-4-methylbenzene
CID 135084054
4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65306023
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65309028
ethyl 3,3-dimethyl-5-(4-methylphenyl)pentanoate
CID 158053687
3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 65304944
4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65306110
1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene
CID 59427035
3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine
CID 65300566
N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 63774462

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine (CID 65308675) is N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine is CCNCC(C)(C)CCc1ccc(C)cc1.
What is the InChIKey of N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine?
The InChIKey is OMAGGSPRPSKEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-16-12-15(3,4)11-10-14-8-6-13(2)7-9-14/h6-9,16H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine?
N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine is sourced from PubChem (CID 65308675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).