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

C15H25NO2 — CID 106246401

IUPAC1-methoxy-4-(4-phenylbutylamino)butan-2-ol
SMILESCOCC(O)CCNCCCCc1ccccc1
InChIInChI=1S/C15H25NO2/c1-18-13-15(17)10-12-16-11-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,15-17H,5-6,9-13H2,1H3
InChIKeyUKSIBCFFSYZGAV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.00
Rot. Bonds10

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

1-methoxy-4-(4-phenylbutylamino)butan-2-ol (PubChem CID 106246401) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-methoxy-4-(4-phenylbutylamino)butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-(4-phenylbutylamino)butan-2-ol
PubChem CID106246401
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-methoxy-4-(4-phenylbutylamino)butan-2-ol
SMILESCOCC(O)CCNCCCCc1ccccc1
InChIInChI=1S/C15H25NO2/c1-18-13-15(17)10-12-16-11-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,15-17H,5-6,9-13H2,1H3
InChIKeyUKSIBCFFSYZGAV-UHFFFAOYSA-N
XLogP2.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-methoxy-N-(4-phenylbutyl)butan-1-amine
CID 106242639
3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine
CID 114333309
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine
CID 114333296
1-methoxy-4-(2-phenylpropylamino)butan-2-ol
CID 107095218
4-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 115688342
methyl 11-(4-phenylbutylamino)undecanoate
CID 167433431
1-benzyl-3-(3-hydroxy-4-methoxybutyl)urea
CID 103875504
4-chloro-1-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 114150757
2-methyl-5-(3-phenylpropylamino)pentan-1-ol
CID 114151635
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-(4-phenylbutyl)hexan-1-amine
CID 54151992

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-phenylbutylamino)butan-2-ol?
The IUPAC name of 1-methoxy-4-(4-phenylbutylamino)butan-2-ol (CID 106246401) is 1-methoxy-4-(4-phenylbutylamino)butan-2-ol.
What is the SMILES notation for 1-methoxy-4-(4-phenylbutylamino)butan-2-ol?
The canonical SMILES for 1-methoxy-4-(4-phenylbutylamino)butan-2-ol is COCC(O)CCNCCCCc1ccccc1.
What is the InChIKey of 1-methoxy-4-(4-phenylbutylamino)butan-2-ol?
The InChIKey is UKSIBCFFSYZGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-18-13-15(17)10-12-16-11-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,15-17H,5-6,9-13H2,1H3.
What are the key properties of 1-methoxy-4-(4-phenylbutylamino)butan-2-ol?
1-methoxy-4-(4-phenylbutylamino)butan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-phenylbutylamino)butan-2-ol is sourced from PubChem (CID 106246401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).