N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine

C17H29N — CID 105028868

IUPACN-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1ccccc1CC
InChIInChI=1S/C17H29N/c1-5-15-11-7-8-12-16(15)17(18-6-2)13-9-10-14(3)4/h7-8,11-12,14,17-18H,5-6,9-10,13H2,1-4H3
InChIKeyXJSBMFORAGWFNW-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.73
Rot. Bonds8

About N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine

N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine (PubChem CID 105028868) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine
PubChem CID105028868
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1ccccc1CC
InChIInChI=1S/C17H29N/c1-5-15-11-7-8-12-16(15)17(18-6-2)13-9-10-14(3)4/h7-8,11-12,14,17-18H,5-6,9-10,13H2,1-4H3
InChIKeyXJSBMFORAGWFNW-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028600
N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine
CID 105028931
N-ethyl-1-(2-ethylphenyl)ethanamine
CID 115781037
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
N-ethyl-5-methyl-1-pyridin-2-ylhexan-1-amine
CID 83161018
1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine
CID 114211088
2-(2-ethylphenyl)-2-(2-methylpropylamino)ethanol
CID 62415875
1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 83161275
1-(2-ethylphenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820254
N-ethyl-1-(2-ethylphenyl)-2-pyridin-3-ylethanamine
CID 105034649
3-(2-ethylphenyl)-3-(propylamino)propan-1-ol
CID 65235088
1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 114028349

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine?
The IUPAC name of N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine (CID 105028868) is N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine?
The canonical SMILES for N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine is CCNC(CCCC(C)C)c1ccccc1CC.
What is the InChIKey of N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine?
The InChIKey is XJSBMFORAGWFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-15-11-7-8-12-16(15)17(18-6-2)13-9-10-14(3)4/h7-8,11-12,14,17-18H,5-6,9-10,13H2,1-4H3.
What are the key properties of N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine?
N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine is sourced from PubChem (CID 105028868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).