1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol

C16H24ClNO2 — CID 18838026

IUPAC1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol
SMILESCc1cc(OCC(O)CNC2CCCC2)cc(C)c1Cl
InChIInChI=1S/C16H24ClNO2/c1-11-7-15(8-12(2)16(11)17)20-10-14(19)9-18-13-5-3-4-6-13/h7-8,13-14,18-19H,3-6,9-10H2,1-2H3
InChIKeyFONBZWNROJDBLM-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.23
Rot. Bonds6

About 1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol

1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol (PubChem CID 18838026) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol
PubChem CID18838026
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol
SMILESCc1cc(OCC(O)CNC2CCCC2)cc(C)c1Cl
InChIInChI=1S/C16H24ClNO2/c1-11-7-15(8-12(2)16(11)17)20-10-14(19)9-18-13-5-3-4-6-13/h7-8,13-14,18-19H,3-6,9-10H2,1-2H3
InChIKeyFONBZWNROJDBLM-UHFFFAOYSA-N
XLogP3.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol
CID 22766012
1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
CID 110181265
(2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 6981695
1-(4-chloro-3,5-dimethylphenoxy)-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 3416899
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol?
The IUPAC name of 1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol (CID 18838026) is 1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol?
The canonical SMILES for 1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol is Cc1cc(OCC(O)CNC2CCCC2)cc(C)c1Cl.
What is the InChIKey of 1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol?
The InChIKey is FONBZWNROJDBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-11-7-15(8-12(2)16(11)17)20-10-14(19)9-18-13-5-3-4-6-13/h7-8,13-14,18-19H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol?
1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol has a molecular weight of 297.83 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol is sourced from PubChem (CID 18838026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).