N-ethyl-2-(2-methylphenyl)hexan-1-amine

C15H25N — CID 79421796

IUPACN-ethyl-2-(2-methylphenyl)hexan-1-amine
SMILESCCCCC(CNCC)c1ccccc1C
InChIInChI=1S/C15H25N/c1-4-6-10-14(12-16-5-2)15-11-8-7-9-13(15)3/h7-9,11,14,16H,4-6,10,12H2,1-3H3
InChIKeyCNOSIHHJZHBGIP-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.88
Rot. Bonds7

About N-ethyl-2-(2-methylphenyl)hexan-1-amine

N-ethyl-2-(2-methylphenyl)hexan-1-amine (PubChem CID 79421796) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-ethyl-2-(2-methylphenyl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenyl)hexan-1-amine
PubChem CID79421796
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-ethyl-2-(2-methylphenyl)hexan-1-amine
SMILESCCCCC(CNCC)c1ccccc1C
InChIInChI=1S/C15H25N/c1-4-6-10-14(12-16-5-2)15-11-8-7-9-13(15)3/h7-9,11,14,16H,4-6,10,12H2,1-3H3
InChIKeyCNOSIHHJZHBGIP-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79421507
N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine
CID 79421716
N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine
CID 79423694
N,4-diethyl-2-(2-methylphenyl)hexan-1-amine
CID 82929523
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
1-decan-3-yl-2-methylbenzene
CID 152506171
3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 114933691
3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 79423679
N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421243
1-(1-bromooctan-2-yl)-2-methylbenzene
CID 79419011
1-(1-chlorooctan-2-yl)-2-methylbenzene
CID 79419086
2-(2-methylphenyl)decan-1-amine
CID 79421405

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenyl)hexan-1-amine?
The IUPAC name of N-ethyl-2-(2-methylphenyl)hexan-1-amine (CID 79421796) is N-ethyl-2-(2-methylphenyl)hexan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylphenyl)hexan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylphenyl)hexan-1-amine is CCCCC(CNCC)c1ccccc1C.
What is the InChIKey of N-ethyl-2-(2-methylphenyl)hexan-1-amine?
The InChIKey is CNOSIHHJZHBGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-6-10-14(12-16-5-2)15-11-8-7-9-13(15)3/h7-9,11,14,16H,4-6,10,12H2,1-3H3.
What are the key properties of N-ethyl-2-(2-methylphenyl)hexan-1-amine?
N-ethyl-2-(2-methylphenyl)hexan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylphenyl)hexan-1-amine is sourced from PubChem (CID 79421796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).