1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine

C16H27N — CID 43490798

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1cc(C)ccc1C
InChIInChI=1S/C16H27N/c1-6-17-16(10-7-12(2)3)15-11-13(4)8-9-14(15)5/h8-9,11-12,16-17H,6-7,10H2,1-5H3
InChIKeyKRQWKBLVEYJACB-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.39
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine

1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine (PubChem CID 43490798) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
PubChem CID43490798
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1cc(C)ccc1C
InChIInChI=1S/C16H27N/c1-6-17-16(10-7-12(2)3)15-11-13(4)8-9-14(15)5/h8-9,11-12,16-17H,6-7,10H2,1-5H3
InChIKeyKRQWKBLVEYJACB-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834278
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-methylpentan-1-amine
CID 43626298
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 43490830
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447347
1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 105120553
1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine
CID 102981309
2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 64647483
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763423
1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55110466
1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105120183

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine (CID 43490798) is 1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine is CCNC(CCC(C)C)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine?
The InChIKey is KRQWKBLVEYJACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-17-16(10-7-12(2)3)15-11-13(4)8-9-14(15)5/h8-9,11-12,16-17H,6-7,10H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine?
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine is sourced from PubChem (CID 43490798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).