2-ethyl-N-(1-phenylethyl)butan-1-amine

C14H23N — CID 43177121

IUPAC2-ethyl-N-(1-phenylethyl)butan-1-amine
SMILESCCC(CC)CNC(C)c1ccccc1
InChIInChI=1S/C14H23N/c1-4-13(5-2)11-15-12(3)14-9-7-6-8-10-14/h6-10,12-13,15H,4-5,11H2,1-3H3
InChIKeyODFROAAFVGHWEC-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.77
Rot. Bonds6

About 2-ethyl-N-(1-phenylethyl)butan-1-amine

2-ethyl-N-(1-phenylethyl)butan-1-amine (PubChem CID 43177121) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 2-ethyl-N-(1-phenylethyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(1-phenylethyl)butan-1-amine
PubChem CID43177121
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name2-ethyl-N-(1-phenylethyl)butan-1-amine
SMILESCCC(CC)CNC(C)c1ccccc1
InChIInChI=1S/C14H23N/c1-4-13(5-2)11-15-12(3)14-9-7-6-8-10-14/h6-10,12-13,15H,4-5,11H2,1-3H3
InChIKeyODFROAAFVGHWEC-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-[[[(1S)-1-phenylethyl]amino]methyl]pentanoic acid
CID 66666559
1-N-[(1S)-1-phenylethyl]butane-1,2-diamine
CID 91219857
(4S)-4-[[[(1R)-1-phenylethyl]amino]methyl]hept-1-en-2-ol
CID 90132701
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
2-methyl-N-[(1S)-1-phenylethyl]butan-1-amine;(1S)-1-phenylethanamine
CID 167591291
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine
CID 82924271
N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
CID 43223398
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
CID 122038582

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-phenylethyl)butan-1-amine?
The IUPAC name of 2-ethyl-N-(1-phenylethyl)butan-1-amine (CID 43177121) is 2-ethyl-N-(1-phenylethyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-(1-phenylethyl)butan-1-amine?
The canonical SMILES for 2-ethyl-N-(1-phenylethyl)butan-1-amine is CCC(CC)CNC(C)c1ccccc1.
What is the InChIKey of 2-ethyl-N-(1-phenylethyl)butan-1-amine?
The InChIKey is ODFROAAFVGHWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-13(5-2)11-15-12(3)14-9-7-6-8-10-14/h6-10,12-13,15H,4-5,11H2,1-3H3.
What are the key properties of 2-ethyl-N-(1-phenylethyl)butan-1-amine?
2-ethyl-N-(1-phenylethyl)butan-1-amine has a molecular weight of 205.35 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-phenylethyl)butan-1-amine is sourced from PubChem (CID 43177121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).