1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol

C16H25NO2 — CID 18838017

IUPAC1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
SMILESCCc1ccc(OCC(O)CNC2CCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-2-13-7-9-16(10-8-13)19-12-15(18)11-17-14-5-3-4-6-14/h7-10,14-15,17-18H,2-6,11-12H2,1H3
InChIKeySQLDJXYFYSXFOZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.52
Rot. Bonds7

About 1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol

1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol (PubChem CID 18838017) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
PubChem CID18838017
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
SMILESCCc1ccc(OCC(O)CNC2CCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-2-13-7-9-16(10-8-13)19-12-15(18)11-17-14-5-3-4-6-14/h7-10,14-15,17-18H,2-6,11-12H2,1H3
InChIKeySQLDJXYFYSXFOZ-UHFFFAOYSA-N
XLogP2.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.52
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
(2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride
CID 70674125
1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63363406
1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-ethylphenoxy)propan-2-ol
CID 60633976
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 2102296
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol?
The IUPAC name of 1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol (CID 18838017) is 1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol is CCc1ccc(OCC(O)CNC2CCCC2)cc1.
What is the InChIKey of 1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol?
The InChIKey is SQLDJXYFYSXFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-13-7-9-16(10-8-13)19-12-15(18)11-17-14-5-3-4-6-14/h7-10,14-15,17-18H,2-6,11-12H2,1H3.
What are the key properties of 1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol?
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol is sourced from PubChem (CID 18838017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).