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

C17H27NO5 — CID 110181265

IUPAC1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
SMILESCOc1cc(OCC(O)CNC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C17H27NO5/c1-20-15-8-14(9-16(21-2)17(15)22-3)23-11-13(19)10-18-12-6-4-5-7-12/h8-9,12-13,18-19H,4-7,10-11H2,1-3H3
InChIKeyYCNJELXTBSFRDG-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.98
Rot. Bonds9

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

1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol (PubChem CID 110181265) has the molecular formula C17H27NO5 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
PubChem CID110181265
Molecular FormulaC17H27NO5
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC Name1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
SMILESCOc1cc(OCC(O)CNC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C17H27NO5/c1-20-15-8-14(9-16(21-2)17(15)22-3)23-11-13(19)10-18-12-6-4-5-7-12/h8-9,12-13,18-19H,4-7,10-11H2,1-3H3
InChIKeyYCNJELXTBSFRDG-UHFFFAOYSA-N
XLogP1.98
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol
CID 18838026
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine
CID 104749742
1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol
CID 79415250
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
1-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propan-2-ol
CID 103201565
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)ethanol
CID 112501830
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol (CID 110181265) is 1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol is COc1cc(OCC(O)CNC2CCCC2)cc(OC)c1OC.
What is the InChIKey of 1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol?
The InChIKey is YCNJELXTBSFRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5/c1-20-15-8-14(9-16(21-2)17(15)22-3)23-11-13(19)10-18-12-6-4-5-7-12/h8-9,12-13,18-19H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol?
1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol has a molecular weight of 325.41 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol is sourced from PubChem (CID 110181265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).