(2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide

C13H19FN2O2 — CID 8912011

IUPAC(2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide
SMILESCCN(Cc1ccc(OC)c(F)c1)[C@H](C)C(N)=O
InChIInChI=1S/C13H19FN2O2/c1-4-16(9(2)13(15)17)8-10-5-6-12(18-3)11(14)7-10/h5-7,9H,4,8H2,1-3H3,(H2,15,17)/t9-/m1/s1
InChIKeyPPSAWXWVFWGRKJ-SECBINFHSA-N
MW254.31 g/mol
LogP1.53
Rot. Bonds6

About (2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide

(2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide (PubChem CID 8912011) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is (2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide
PubChem CID8912011
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name(2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide
SMILESCCN(Cc1ccc(OC)c(F)c1)[C@H](C)C(N)=O
InChIInChI=1S/C13H19FN2O2/c1-4-16(9(2)13(15)17)8-10-5-6-12(18-3)11(14)7-10/h5-7,9H,4,8H2,1-3H3,(H2,15,17)/t9-/m1/s1
InChIKeyPPSAWXWVFWGRKJ-SECBINFHSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide 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

2-[(3-fluoro-4-methoxyphenyl)methyl-propan-2-ylamino]acetic acid
CID 60839990
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]butan-2-one
CID 62023874
(2S)-N-carbamoyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 8681047
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 112517436
(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 94453979
(2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9349342
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(methylamino)propanamide
CID 55096948
4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 81075378
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
CID 60696173
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54939409
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 51981788

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide (CID 8912011) is (2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide is CCN(Cc1ccc(OC)c(F)c1)[C@H](C)C(N)=O.
What is the InChIKey of (2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is PPSAWXWVFWGRKJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-16(9(2)13(15)17)8-10-5-6-12(18-3)11(14)7-10/h5-7,9H,4,8H2,1-3H3,(H2,15,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide?
(2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 254.31 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 8912011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).