1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol

C15H24ClNO2 — CID 65190622

IUPAC1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol
SMILESCCCCCC(O)C(CN)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO2/c1-3-4-5-6-14(18)13(10-17)12-9-11(16)7-8-15(12)19-2/h7-9,13-14,18H,3-6,10,17H2,1-2H3
InChIKeyIQRYYYPMDJTVAY-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.33
Rot. Bonds8

About 1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol

1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol (PubChem CID 65190622) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol.

Molecular Properties

Compound Name1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol
PubChem CID65190622
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol
SMILESCCCCCC(O)C(CN)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO2/c1-3-4-5-6-14(18)13(10-17)12-9-11(16)7-8-15(12)19-2/h7-9,13-14,18H,3-6,10,17H2,1-2H3
InChIKeyIQRYYYPMDJTVAY-UHFFFAOYSA-N
XLogP3.33
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-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

2-(1-bromononyl)-4-chloro-1-methoxybenzene
CID 104546445
4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol
CID 65189958
4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 65190623
3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65190567
1-amino-2-(3-chlorophenyl)dodecan-3-ol
CID 65428170
3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190060
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
CID 79086034
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65189959
(1R)-1-(5-chloro-2-methoxyphenyl)-2-(dioctylamino)ethanol
CID 98529562
3-amino-1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525686
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65190720

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol?
The IUPAC name of 1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol (CID 65190622) is 1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol.
What is the SMILES notation for 1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol?
The canonical SMILES for 1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol is CCCCCC(O)C(CN)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol?
The InChIKey is IQRYYYPMDJTVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-3-4-5-6-14(18)13(10-17)12-9-11(16)7-8-15(12)19-2/h7-9,13-14,18H,3-6,10,17H2,1-2H3.
What are the key properties of 1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol?
1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol has a molecular weight of 285.81 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol is sourced from PubChem (CID 65190622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).