2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine

C17H29N — CID 63420299

IUPAC2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)CNCc1ccccc1CC
InChIInChI=1S/C17H29N/c1-4-7-10-15(5-2)13-18-14-17-12-9-8-11-16(17)6-3/h8-9,11-12,15,18H,4-7,10,13-14H2,1-3H3
InChIKeyWZSRSMHNYGGLRY-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.55
Rot. Bonds9

About 2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine

2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine (PubChem CID 63420299) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
PubChem CID63420299
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)CNCc1ccccc1CC
InChIInChI=1S/C17H29N/c1-4-7-10-15(5-2)13-18-14-17-12-9-8-11-16(17)6-3/h8-9,11-12,15,18H,4-7,10,13-14H2,1-3H3
InChIKeyWZSRSMHNYGGLRY-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine
CID 55027033
3-ethyl-N-[(2-methylphenyl)methyl]heptan-1-amine
CID 142055976
2-[2-[[(2-ethyl-4-hydroxybutyl)amino]methyl]phenyl]acetic acid
CID 115462188
2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine
CID 114053767
(2S)-2-ethyl-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 7036530
N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63490739
N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine
CID 107815849
N-(2-ethylhexyl)-2-(2-ethylphenoxy)propanamide
CID 133235259
3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136701807
N-[(2R)-2-ethylhexyl]-2-naphthalen-1-ylacetamide
CID 7314092
N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide
CID 4656011

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine (CID 63420299) is 2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine is CCCCC(CC)CNCc1ccccc1CC.
What is the InChIKey of 2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine?
The InChIKey is WZSRSMHNYGGLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-7-10-15(5-2)13-18-14-17-12-9-8-11-16(17)6-3/h8-9,11-12,15,18H,4-7,10,13-14H2,1-3H3.
What are the key properties of 2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine?
2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 63420299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).