4-ethyl-2-(2-methylphenyl)octan-2-amine

C17H29N — CID 63408267

IUPAC4-ethyl-2-(2-methylphenyl)octan-2-amine
SMILESCCCCC(CC)CC(C)(N)c1ccccc1C
InChIInChI=1S/C17H29N/c1-5-7-11-15(6-2)13-17(4,18)16-12-9-8-10-14(16)3/h8-10,12,15H,5-7,11,13,18H2,1-4H3
InChIKeyUKENZARBTLTDJX-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.78
Rot. Bonds7

About 4-ethyl-2-(2-methylphenyl)octan-2-amine

4-ethyl-2-(2-methylphenyl)octan-2-amine (PubChem CID 63408267) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-ethyl-2-(2-methylphenyl)octan-2-amine.

Molecular Properties

Compound Name4-ethyl-2-(2-methylphenyl)octan-2-amine
PubChem CID63408267
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-ethyl-2-(2-methylphenyl)octan-2-amine
SMILESCCCCC(CC)CC(C)(N)c1ccccc1C
InChIInChI=1S/C17H29N/c1-5-7-11-15(6-2)13-17(4,18)16-12-9-8-10-14(16)3/h8-10,12,15H,5-7,11,13,18H2,1-4H3
InChIKeyUKENZARBTLTDJX-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-chloro-2-(chloromethyl)-4-ethyloctan-2-yl]-2-methylbenzene
CID 79453391
4-ethyl-2-(4-fluorophenyl)octan-2-amine
CID 63408440
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
4-ethyl-2-(2-methoxyphenyl)octan-2-ol
CID 63407220
4-ethyl-2-(5-fluoro-2-pyridinyl)octan-2-amine
CID 83125502
3-ethyl-1-(2-methylphenyl)heptan-1-ol
CID 63411121
2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol
CID 79447728
5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine
CID 54144406
2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine
CID 81374760
3,5-diethylnonan-3-amine
CID 63408454
5-ethyl-N-methyl-1-(2-methylphenyl)nonan-3-amine
CID 105103019
3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol
CID 66432776

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methylphenyl)octan-2-amine?
The IUPAC name of 4-ethyl-2-(2-methylphenyl)octan-2-amine (CID 63408267) is 4-ethyl-2-(2-methylphenyl)octan-2-amine.
What is the SMILES notation for 4-ethyl-2-(2-methylphenyl)octan-2-amine?
The canonical SMILES for 4-ethyl-2-(2-methylphenyl)octan-2-amine is CCCCC(CC)CC(C)(N)c1ccccc1C.
What is the InChIKey of 4-ethyl-2-(2-methylphenyl)octan-2-amine?
The InChIKey is UKENZARBTLTDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-7-11-15(6-2)13-17(4,18)16-12-9-8-10-14(16)3/h8-10,12,15H,5-7,11,13,18H2,1-4H3.
What are the key properties of 4-ethyl-2-(2-methylphenyl)octan-2-amine?
4-ethyl-2-(2-methylphenyl)octan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-methylphenyl)octan-2-amine is sourced from PubChem (CID 63408267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).