4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine

C18H31N — CID 65306023

IUPAC4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNCC(C)(C)CCc1cc(CC)ccc1CC
InChIInChI=1S/C18H31N/c1-6-15-9-10-16(7-2)17(13-15)11-12-18(4,5)14-19-8-3/h9-10,13,19H,6-8,11-12,14H2,1-5H3
InChIKeyQOMTZBZKBWTDFV-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.38
Rot. Bonds8

About 4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine

4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine (PubChem CID 65306023) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine
PubChem CID65306023
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNCC(C)(C)CCc1cc(CC)ccc1CC
InChIInChI=1S/C18H31N/c1-6-15-9-10-16(7-2)17(13-15)11-12-18(4,5)14-19-8-3/h9-10,13,19H,6-8,11-12,14H2,1-5H3
InChIKeyQOMTZBZKBWTDFV-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-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

4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 65306070
N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine
CID 65308675
4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65308819
N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65308504
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65309028
5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine
CID 115483394
4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65306196
2-(2,5-diethylphenyl)ethanamine
CID 117277667
4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65306110
N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204419
2-(3-chloropropyl)-1,4-diethylbenzene
CID 83920895
1,2-diethyl-4-propylbenzene
CID 54363919

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine (CID 65306023) is 4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine is CCNCC(C)(C)CCc1cc(CC)ccc1CC.
What is the InChIKey of 4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The InChIKey is QOMTZBZKBWTDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-15-9-10-16(7-2)17(13-15)11-12-18(4,5)14-19-8-3/h9-10,13,19H,6-8,11-12,14H2,1-5H3.
What are the key properties of 4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65306023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).