(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol

C19H24FNO3 — CID 93160726

IUPAC(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
SMILESCOCCN(Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1
InChIInChI=1S/C19H24FNO3/c1-23-12-11-21(13-16-7-9-17(20)10-8-16)14-18(22)15-24-19-5-3-2-4-6-19/h2-10,18,22H,11-15H2,1H3/t18-/m0/s1
InChIKeyQBJZKZWLWQUOLL-SFHVURJKSA-N
MW333.40 g/mol
LogP2.71
Rot. Bonds10

About (2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol

(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol (PubChem CID 93160726) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is (2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
PubChem CID93160726
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
SMILESCOCCN(Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1
InChIInChI=1S/C19H24FNO3/c1-23-12-11-21(13-16-7-9-17(20)10-8-16)14-18(22)15-24-19-5-3-2-4-6-19/h2-10,18,22H,11-15H2,1H3/t18-/m0/s1
InChIKeyQBJZKZWLWQUOLL-SFHVURJKSA-N
XLogP2.71
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160404
(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93162983
1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol
CID 3395727
(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 95285904
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592
1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717288
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 46006806
(2S)-1-[(2,3-dimethoxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93147261
(2R)-1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenoxypropan-2-ol
CID 93147109
1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
CID 24713640
(2R)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]hex-5-en-2-ol
CID 93146898
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713119

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol (CID 93160726) is (2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol is COCCN(Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1.
What is the InChIKey of (2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is QBJZKZWLWQUOLL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24FNO3/c1-23-12-11-21(13-16-7-9-17(20)10-8-16)14-18(22)15-24-19-5-3-2-4-6-19/h2-10,18,22H,11-15H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol?
(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 333.40 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 93160726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).