1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol

C17H29NO2 — CID 103906000

IUPAC1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol
SMILESCOCC(O)CCNC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-13(2)11-15-5-7-16(8-6-15)14(3)18-10-9-17(19)12-20-4/h5-8,13-14,17-19H,9-12H2,1-4H3
InChIKeyCIINPNPPINQSHL-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.93
Rot. Bonds9

About 1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol

1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol (PubChem CID 103906000) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol
PubChem CID103906000
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol
SMILESCOCC(O)CCNC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-13(2)11-15-5-7-16(8-6-15)14(3)18-10-9-17(19)12-20-4/h5-8,13-14,17-19H,9-12H2,1-4H3
InChIKeyCIINPNPPINQSHL-UHFFFAOYSA-N
XLogP2.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]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

4-[1-[(3-hydroxy-4-methoxybutyl)amino]ethyl]benzonitrile
CID 103922135
4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol
CID 106245098
1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene
CID 134395846
2-[(1-methoxy-3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 65048916
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 107094093
4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906081
4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 107093913
1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol
CID 106244935
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81348369
N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide
CID 60926719
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol (CID 103906000) is 1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol is COCC(O)CCNC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol?
The InChIKey is CIINPNPPINQSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)11-15-5-7-16(8-6-15)14(3)18-10-9-17(19)12-20-4/h5-8,13-14,17-19H,9-12H2,1-4H3.
What are the key properties of 1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol?
1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol is sourced from PubChem (CID 103906000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).