1-methoxy-4-(2-phenylpropylamino)butan-2-ol

C14H23NO2 — CID 107095218

IUPAC1-methoxy-4-(2-phenylpropylamino)butan-2-ol
SMILESCOCC(O)CCNCC(C)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-12(13-6-4-3-5-7-13)10-15-9-8-14(16)11-17-2/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeyAUZVNYSQMQSPNI-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.78
Rot. Bonds8

About 1-methoxy-4-(2-phenylpropylamino)butan-2-ol

1-methoxy-4-(2-phenylpropylamino)butan-2-ol (PubChem CID 107095218) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-methoxy-4-(2-phenylpropylamino)butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-(2-phenylpropylamino)butan-2-ol
PubChem CID107095218
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-methoxy-4-(2-phenylpropylamino)butan-2-ol
SMILESCOCC(O)CCNCC(C)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-12(13-6-4-3-5-7-13)10-15-9-8-14(16)11-17-2/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeyAUZVNYSQMQSPNI-UHFFFAOYSA-N
XLogP1.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methoxy-4-(2-phenylpropylamino)butan-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

3-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylpropanenitrile
CID 106246789
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol
CID 106246545
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
CID 106246707
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
1-methoxy-4-(4-phenylbutylamino)butan-2-ol
CID 106246401
2-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylacetic acid
CID 106248272
2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
CID 107095421
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine
CID 43182585
1-ethoxy-3-(2-phenylpropylamino)propan-2-ol
CID 113430199

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-phenylpropylamino)butan-2-ol?
The IUPAC name of 1-methoxy-4-(2-phenylpropylamino)butan-2-ol (CID 107095218) is 1-methoxy-4-(2-phenylpropylamino)butan-2-ol.
What is the SMILES notation for 1-methoxy-4-(2-phenylpropylamino)butan-2-ol?
The canonical SMILES for 1-methoxy-4-(2-phenylpropylamino)butan-2-ol is COCC(O)CCNCC(C)c1ccccc1.
What is the InChIKey of 1-methoxy-4-(2-phenylpropylamino)butan-2-ol?
The InChIKey is AUZVNYSQMQSPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(13-6-4-3-5-7-13)10-15-9-8-14(16)11-17-2/h3-7,12,14-16H,8-11H2,1-2H3.
What are the key properties of 1-methoxy-4-(2-phenylpropylamino)butan-2-ol?
1-methoxy-4-(2-phenylpropylamino)butan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-phenylpropylamino)butan-2-ol is sourced from PubChem (CID 107095218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).