1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol

C15H23NO2 — CID 113467204

IUPAC1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNC2CC(C)C2)cc1
InChIInChI=1S/C15H23NO2/c1-11-3-5-15(6-4-11)18-10-14(17)9-16-13-7-12(2)8-13/h3-6,12-14,16-17H,7-10H2,1-2H3
InChIKeyBNVFKGCIRNWHGH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.12
Rot. Bonds6

About 1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol

1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 113467204) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol
PubChem CID113467204
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNC2CC(C)C2)cc1
InChIInChI=1S/C15H23NO2/c1-11-3-5-15(6-4-11)18-10-14(17)9-16-13-7-12(2)8-13/h3-6,12-14,16-17H,7-10H2,1-2H3
InChIKeyBNVFKGCIRNWHGH-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-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

1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 62397928
1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63995480
1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
CID 122714533
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[(1,1-dioxothian-3-yl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63924316
5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one
CID 64654934
1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol
CID 64731894
1-[(2,2-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 79870605
1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
CID 54938847
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol (CID 113467204) is 1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OCC(O)CNC2CC(C)C2)cc1.
What is the InChIKey of 1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is BNVFKGCIRNWHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-3-5-15(6-4-11)18-10-14(17)9-16-13-7-12(2)8-13/h3-6,12-14,16-17H,7-10H2,1-2H3.
What are the key properties of 1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol?
1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 113467204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).