4-ethyl-1-(3-methylphenyl)octan-2-amine

C17H29N — CID 63414791

IUPAC4-ethyl-1-(3-methylphenyl)octan-2-amine
SMILESCCCCC(CC)CC(N)Cc1cccc(C)c1
InChIInChI=1S/C17H29N/c1-4-6-9-15(5-2)12-17(18)13-16-10-7-8-14(3)11-16/h7-8,10-11,15,17H,4-6,9,12-13,18H2,1-3H3
InChIKeyFVIRLWKMAJDSSA-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.47
Rot. Bonds8

About 4-ethyl-1-(3-methylphenyl)octan-2-amine

4-ethyl-1-(3-methylphenyl)octan-2-amine (PubChem CID 63414791) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-ethyl-1-(3-methylphenyl)octan-2-amine.

Molecular Properties

Compound Name4-ethyl-1-(3-methylphenyl)octan-2-amine
PubChem CID63414791
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-ethyl-1-(3-methylphenyl)octan-2-amine
SMILESCCCCC(CC)CC(N)Cc1cccc(C)c1
InChIInChI=1S/C17H29N/c1-4-6-9-15(5-2)12-17(18)13-16-10-7-8-14(3)11-16/h7-8,10-11,15,17H,4-6,9,12-13,18H2,1-3H3
InChIKeyFVIRLWKMAJDSSA-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-ethyl-1-phenylnonan-3-amine
CID 63417135
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CID 105102887
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
1-[2-(bromomethyl)octyl]-3-methylbenzene
CID 66040903
1-[2-(bromomethyl)nonyl]-3-methylbenzene
CID 66041904
1-[2-(bromomethyl)decyl]-3-methylbenzene
CID 66043712
3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
CID 63528478
1-(3-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63414918
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CID 113326992

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-methylphenyl)octan-2-amine?
The IUPAC name of 4-ethyl-1-(3-methylphenyl)octan-2-amine (CID 63414791) is 4-ethyl-1-(3-methylphenyl)octan-2-amine.
What is the SMILES notation for 4-ethyl-1-(3-methylphenyl)octan-2-amine?
The canonical SMILES for 4-ethyl-1-(3-methylphenyl)octan-2-amine is CCCCC(CC)CC(N)Cc1cccc(C)c1.
What is the InChIKey of 4-ethyl-1-(3-methylphenyl)octan-2-amine?
The InChIKey is FVIRLWKMAJDSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-6-9-15(5-2)12-17(18)13-16-10-7-8-14(3)11-16/h7-8,10-11,15,17H,4-6,9,12-13,18H2,1-3H3.
What are the key properties of 4-ethyl-1-(3-methylphenyl)octan-2-amine?
4-ethyl-1-(3-methylphenyl)octan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-methylphenyl)octan-2-amine is sourced from PubChem (CID 63414791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).