2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine

C17H29N — CID 81374760

IUPAC2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine
SMILESCCCCC(CC)CN[C@H](C)c1ccccc1C
InChIInChI=1S/C17H29N/c1-5-7-11-16(6-2)13-18-15(4)17-12-9-8-10-14(17)3/h8-10,12,15-16,18H,5-7,11,13H2,1-4H3/t15-,16?/m1/s1
InChIKeyNEHUPICNQOKENP-AAFJCEBUSA-N
MW247.43 g/mol
LogP4.86
Rot. Bonds8

About 2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine

2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine (PubChem CID 81374760) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine
PubChem CID81374760
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine
SMILESCCCCC(CC)CN[C@H](C)c1ccccc1C
InChIInChI=1S/C17H29N/c1-5-7-11-16(6-2)13-18-15(4)17-12-9-8-10-14(17)3/h8-10,12,15-16,18H,5-7,11,13H2,1-4H3/t15-,16?/m1/s1
InChIKeyNEHUPICNQOKENP-AAFJCEBUSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]hexan-1-amine
CID 81407759
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine
CID 130392686
N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine
CID 43103346
3-ethyl-1-(2-methylphenyl)heptan-1-ol
CID 63411121
3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102904031
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 81375054
2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine
CID 43767516
N-[1-(2-methylphenyl)ethyl]heptan-2-amine
CID 43109011
N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
CID 43223398
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine (CID 81374760) is 2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine is CCCCC(CC)CN[C@H](C)c1ccccc1C.
What is the InChIKey of 2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine?
The InChIKey is NEHUPICNQOKENP-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H29N/c1-5-7-11-16(6-2)13-18-15(4)17-12-9-8-10-14(17)3/h8-10,12,15-16,18H,5-7,11,13H2,1-4H3/t15-,16?/m1/s1.
What are the key properties of 2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine?
2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine is sourced from PubChem (CID 81374760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).