1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol

C17H26ClNO2 — CID 60635581

IUPAC1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
SMILESOC(CNC1CCCCCCC1)COc1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO2/c18-14-8-10-17(11-9-14)21-13-16(20)12-19-15-6-4-2-1-3-5-7-15/h8-11,15-16,19-20H,1-7,12-13H2
InChIKeyKPFVAWQRTZUSHD-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.78
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol

1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol (PubChem CID 60635581) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
PubChem CID60635581
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
SMILESOC(CNC1CCCCCCC1)COc1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO2/c18-14-8-10-17(11-9-14)21-13-16(20)12-19-15-6-4-2-1-3-5-7-15/h8-11,15-16,19-20H,1-7,12-13H2
InChIKeyKPFVAWQRTZUSHD-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenoxy)-3-(cyclooctylamino)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

(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580
1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 2102296
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one
CID 106188968
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol
CID 18838026

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol (CID 60635581) is 1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol is OC(CNC1CCCCCCC1)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol?
The InChIKey is KPFVAWQRTZUSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c18-14-8-10-17(11-9-14)21-13-16(20)12-19-15-6-4-2-1-3-5-7-15/h8-11,15-16,19-20H,1-7,12-13H2.
What are the key properties of 1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol?
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol has a molecular weight of 311.85 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol is sourced from PubChem (CID 60635581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).