1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol

C12H18FNO2 — CID 81348369

IUPAC1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO2/c1-9(14-7-12(15)8-16-2)10-3-5-11(13)6-4-10/h3-6,9,12,14-15H,7-8H2,1-2H3/t9-,12?/m0/s1
InChIKeyMZBIXUBJDXASEJ-QHGLUPRGSA-N
MW227.28 g/mol
LogP1.48
Rot. Bonds6

About 1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol

1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol (PubChem CID 81348369) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
PubChem CID81348369
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO2/c1-9(14-7-12(15)8-16-2)10-3-5-11(13)6-4-10/h3-6,9,12,14-15H,7-8H2,1-2H3/t9-,12?/m0/s1
InChIKeyMZBIXUBJDXASEJ-QHGLUPRGSA-N
XLogP1.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol 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-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989639
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81348160
1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 81348053
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol
CID 63928817
N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81347893
(2S)-1-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol
CID 122131753
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 2118266
1-[1-(3-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989658
1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81381420
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol (CID 81348369) is 1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol is COCC(O)CN[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of 1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol?
The InChIKey is MZBIXUBJDXASEJ-QHGLUPRGSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-9(14-7-12(15)8-16-2)10-3-5-11(13)6-4-10/h3-6,9,12,14-15H,7-8H2,1-2H3/t9-,12?/m0/s1.
What are the key properties of 1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol?
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol has a molecular weight of 227.28 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 81348369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).