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

C16H25NO2 — CID 2967956

IUPAC1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNC2CCCC2)cc1C
InChIInChI=1S/C16H25NO2/c1-12-7-8-16(9-13(12)2)19-11-15(18)10-17-14-5-3-4-6-14/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3
InChIKeyIOPMSOCYEHUKKP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.58
Rot. Bonds6

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

1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol (PubChem CID 2967956) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
PubChem CID2967956
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNC2CCCC2)cc1C
InChIInChI=1S/C16H25NO2/c1-12-7-8-16(9-13(12)2)19-11-15(18)10-17-14-5-3-4-6-14/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3
InChIKeyIOPMSOCYEHUKKP-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol
CID 22766012
1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol
CID 18838026
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium
CID 7473347
1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
CID 110181265
1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 60970383
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-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol (CID 2967956) is 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol is Cc1ccc(OCC(O)CNC2CCCC2)cc1C.
What is the InChIKey of 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol?
The InChIKey is IOPMSOCYEHUKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-7-8-16(9-13(12)2)19-11-15(18)10-17-14-5-3-4-6-14/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol?
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 2967956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).