(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol

C21H29NO3 — CID 93161480

IUPAC(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
SMILESCOCCCN(Cc1ccccc1)C[C@@H](O)COCc1ccccc1
InChIInChI=1S/C21H29NO3/c1-24-14-8-13-22(15-19-9-4-2-5-10-19)16-21(23)18-25-17-20-11-6-3-7-12-20/h2-7,9-12,21,23H,8,13-18H2,1H3/t21-/m1/s1
InChIKeyFQESNNQONVCZLN-OAQYLSRUSA-N
MW343.47 g/mol
LogP3.10
Rot. Bonds12

About (2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol

(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol (PubChem CID 93161480) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
PubChem CID93161480
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
SMILESCOCCCN(Cc1ccccc1)C[C@@H](O)COCc1ccccc1
InChIInChI=1S/C21H29NO3/c1-24-14-8-13-22(15-19-9-4-2-5-10-19)16-21(23)18-25-17-20-11-6-3-7-12-20/h2-7,9-12,21,23H,8,13-18H2,1H3/t21-/m1/s1
InChIKeyFQESNNQONVCZLN-OAQYLSRUSA-N
XLogP3.10
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 46006806
1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24713531
(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol
CID 93160595
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162067
1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682208
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93146968
1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 42836990
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164962
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 93161426
(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160750
(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol
CID 93162625
1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
CID 24713640

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol (CID 93161480) is (2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol is COCCCN(Cc1ccccc1)C[C@@H](O)COCc1ccccc1.
What is the InChIKey of (2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is FQESNNQONVCZLN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29NO3/c1-24-14-8-13-22(15-19-9-4-2-5-10-19)16-21(23)18-25-17-20-11-6-3-7-12-20/h2-7,9-12,21,23H,8,13-18H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol?
(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 343.47 g/mol, XLogP of 3.10, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 93161480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).