1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol

C21H29NO2 — CID 24717320

IUPAC1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
SMILESCOCCCN(Cc1ccccc1C)CC(O)Cc1ccccc1
InChIInChI=1S/C21H29NO2/c1-18-9-6-7-12-20(18)16-22(13-8-14-24-2)17-21(23)15-19-10-4-3-5-11-19/h3-7,9-12,21,23H,8,13-17H2,1-2H3
InChIKeyOVKVFSPXTGJVEG-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.44
Rot. Bonds10

About 1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol

1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol (PubChem CID 24717320) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
PubChem CID24717320
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
SMILESCOCCCN(Cc1ccccc1C)CC(O)Cc1ccccc1
InChIInChI=1S/C21H29NO2/c1-18-9-6-7-12-20(18)16-22(13-8-14-24-2)17-21(23)15-19-10-4-3-5-11-19/h3-7,9-12,21,23H,8,13-17H2,1-2H3
InChIKeyOVKVFSPXTGJVEG-UHFFFAOYSA-N
XLogP3.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 24713590
(2R)-1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 93162755
1-[(2,5-dimethylphenyl)methyl-(3-methoxypropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 42682221
(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 93161480
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164962
(2R)-1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenoxypropan-2-ol
CID 93147109
(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 93160858
[(2S)-2-hydroxy-3-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]propyl] butanoate
CID 93162735
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 93164977
1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717323
(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93162759
1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24713531

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol (CID 24717320) is 1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol is COCCCN(Cc1ccccc1C)CC(O)Cc1ccccc1.
What is the InChIKey of 1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol?
The InChIKey is OVKVFSPXTGJVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-18-9-6-7-12-20(18)16-22(13-8-14-24-2)17-21(23)15-19-10-4-3-5-11-19/h3-7,9-12,21,23H,8,13-17H2,1-2H3.
What are the key properties of 1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol?
1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol has a molecular weight of 327.47 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 24717320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).