(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol

C20H27NO3 — CID 93160592

IUPAC(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
SMILESCCCN(Cc1ccc(OC)cc1)C[C@H](O)COc1ccccc1
InChIInChI=1S/C20H27NO3/c1-3-13-21(14-17-9-11-19(23-2)12-10-17)15-18(22)16-24-20-7-5-4-6-8-20/h4-12,18,22H,3,13-16H2,1-2H3/t18-/m0/s1
InChIKeyFFNLWWQKELEKSW-SFHVURJKSA-N
MW329.44 g/mol
LogP3.35
Rot. Bonds10

About (2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol

(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol (PubChem CID 93160592) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
PubChem CID93160592
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
SMILESCCCN(Cc1ccc(OC)cc1)C[C@H](O)COc1ccccc1
InChIInChI=1S/C20H27NO3/c1-3-13-21(14-17-9-11-19(23-2)12-10-17)15-18(22)16-24-20-7-5-4-6-8-20/h4-12,18,22H,3,13-16H2,1-2H3/t18-/m0/s1
InChIKeyFFNLWWQKELEKSW-SFHVURJKSA-N
XLogP3.35
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717288
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
(2S)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 93160526
(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol
CID 93160595
1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717291
(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160726
(2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160404
1-[benzyl-[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 132585804
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
(2S)-1-(4-methoxyphenoxy)-3-[(3-methoxyphenyl)methyl-(3-methylbutyl)amino]propan-2-ol
CID 93162938
1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717323

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol (CID 93160592) is (2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol is CCCN(Cc1ccc(OC)cc1)C[C@H](O)COc1ccccc1.
What is the InChIKey of (2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol?
The InChIKey is FFNLWWQKELEKSW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-13-21(14-17-9-11-19(23-2)12-10-17)15-18(22)16-24-20-7-5-4-6-8-20/h4-12,18,22H,3,13-16H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol?
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 93160592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).