1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine

C16H27N — CID 105018666

IUPAC1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine
SMILESCCc1cccc(C(N)CC(C)C(C)(C)C)c1
InChIInChI=1S/C16H27N/c1-6-13-8-7-9-14(11-13)15(17)10-12(2)16(3,4)5/h7-9,11-12,15H,6,10,17H2,1-5H3
InChIKeyUQUVDZRPOHLLIL-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.32
Rot. Bonds4

About 1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine

1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine (PubChem CID 105018666) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine
PubChem CID105018666
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine
SMILESCCc1cccc(C(N)CC(C)C(C)(C)C)c1
InChIInChI=1S/C16H27N/c1-6-13-8-7-9-14(11-13)15(17)10-12(2)16(3,4)5/h7-9,11-12,15H,6,10,17H2,1-5H3
InChIKeyUQUVDZRPOHLLIL-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115854063
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
(1R)-1-(3-ethylphenyl)but-3-en-1-amine
CID 55294318
1-(3-ethylphenyl)-2,3-dimethylbutan-1-amine
CID 105018856
1-(2,2-dimethylhexan-3-yl)-3-ethylbenzene
CID 59692082
3-methyl-1-(3-propylphenyl)pentan-1-amine
CID 105050445
1-butan-2-yl-3-ethylbenzene
CID 528681
1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine
CID 115851616
2-ethyl-1-(3-ethylphenyl)butan-1-amine
CID 105018813
2-(3-ethylphenyl)-4-methylpentan-1-amine
CID 166737218
N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050615
3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 112705581

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine (CID 105018666) is 1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine is CCc1cccc(C(N)CC(C)C(C)(C)C)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine?
The InChIKey is UQUVDZRPOHLLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-13-8-7-9-14(11-13)15(17)10-12(2)16(3,4)5/h7-9,11-12,15H,6,10,17H2,1-5H3.
What are the key properties of 1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine?
1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 105018666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).