acetic acid;N-ethyl-1-phenylpropan-2-amine

C13H21NO2 — CID 22214099

IUPACacetic acid;N-ethyl-1-phenylpropan-2-amine
SMILESCC(=O)O.CCNC(C)Cc1ccccc1
InChIInChI=1S/C11H17N.C2H4O2/c1-3-12-10(2)9-11-7-5-4-6-8-11;1-2(3)4/h4-8,10,12H,3,9H2,1-2H3;1H3,(H,3,4)
InChIKeyYQIXQJPARRKIKO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.32
Rot. Bonds4

About acetic acid;N-ethyl-1-phenylpropan-2-amine

acetic acid;N-ethyl-1-phenylpropan-2-amine (PubChem CID 22214099) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is acetic acid;N-ethyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Nameacetic acid;N-ethyl-1-phenylpropan-2-amine
PubChem CID22214099
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameacetic acid;N-ethyl-1-phenylpropan-2-amine
SMILESCC(=O)O.CCNC(C)Cc1ccccc1
InChIInChI=1S/C11H17N.C2H4O2/c1-3-12-10(2)9-11-7-5-4-6-8-11;1-2(3)4/h4-8,10,12H,3,9H2,1-2H3;1H3,(H,3,4)
InChIKeyYQIXQJPARRKIKO-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze acetic acid;N-ethyl-1-phenylpropan-2-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

1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
CID 12910708
(1-phenylpropan-2-ylamino)methanol
CID 54463712
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
4-(ethylamino)-1-phenylpentan-2-one
CID 116566589
2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride
CID 120651072
2-(ethylamino)-3-phenylpropanal
CID 3325220
2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid
CID 79398614
5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 103250470
benzyl (3R)-3-(ethylamino)butanoate
CID 59005233
3-(1-phenylpropan-2-ylamino)-N-propylpropanamide
CID 55148984
N-(1-phenylpropan-2-yl)acetamide;toluene
CID 157258470
N,N-dimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 63011400

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-ethyl-1-phenylpropan-2-amine?
The IUPAC name of acetic acid;N-ethyl-1-phenylpropan-2-amine (CID 22214099) is acetic acid;N-ethyl-1-phenylpropan-2-amine.
What is the SMILES notation for acetic acid;N-ethyl-1-phenylpropan-2-amine?
The canonical SMILES for acetic acid;N-ethyl-1-phenylpropan-2-amine is CC(=O)O.CCNC(C)Cc1ccccc1.
What is the InChIKey of acetic acid;N-ethyl-1-phenylpropan-2-amine?
The InChIKey is YQIXQJPARRKIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C2H4O2/c1-3-12-10(2)9-11-7-5-4-6-8-11;1-2(3)4/h4-8,10,12H,3,9H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-ethyl-1-phenylpropan-2-amine?
acetic acid;N-ethyl-1-phenylpropan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-ethyl-1-phenylpropan-2-amine is sourced from PubChem (CID 22214099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).