2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol

C15H24ClNO2 — CID 66002672

IUPAC2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
SMILESCOc1ccc(Cl)cc1C(C)(O)CCNCC(C)C
InChIInChI=1S/C15H24ClNO2/c1-11(2)10-17-8-7-15(3,18)13-9-12(16)5-6-14(13)19-4/h5-6,9,11,17-18H,7-8,10H2,1-4H3
InChIKeyHATFOOAOVRUQSY-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.19
Rot. Bonds7

About 2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol

2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol (PubChem CID 66002672) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
PubChem CID66002672
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC Name2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
SMILESCOc1ccc(Cl)cc1C(C)(O)CCNCC(C)C
InChIInChI=1S/C15H24ClNO2/c1-11(2)10-17-8-7-15(3,18)13-9-12(16)5-6-14(13)19-4/h5-6,9,11,17-18H,7-8,10H2,1-4H3
InChIKeyHATFOOAOVRUQSY-UHFFFAOYSA-N
XLogP3.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)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-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033129
2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003662
2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002279
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81022246
2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol
CID 82782509
2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol
CID 62775164
2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002281
2-(2-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003668
3-(4-chloro-3-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033271
N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62592250
5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104544669
1-(3-bromo-4-methoxyphenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001084

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol (CID 66002672) is 2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol is COc1ccc(Cl)cc1C(C)(O)CCNCC(C)C.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
The InChIKey is HATFOOAOVRUQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-11(2)10-17-8-7-15(3,18)13-9-12(16)5-6-14(13)19-4/h5-6,9,11,17-18H,7-8,10H2,1-4H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol has a molecular weight of 285.82 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol is sourced from PubChem (CID 66002672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).