1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol

C16H25NO4 — CID 62088573

IUPAC1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CNC2CCCC2OC)cc1
InChIInChI=1S/C16H25NO4/c1-19-13-6-8-14(9-7-13)21-11-12(18)10-17-15-4-3-5-16(15)20-2/h6-9,12,15-18H,3-5,10-11H2,1-2H3
InChIKeyYPYGMUOAHNVMAR-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.59
Rot. Bonds8

About 1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol

1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 62088573) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID62088573
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CNC2CCCC2OC)cc1
InChIInChI=1S/C16H25NO4/c1-19-13-6-8-14(9-7-13)21-11-12(18)10-17-15-4-3-5-16(15)20-2/h6-9,12,15-18H,3-5,10-11H2,1-2H3
InChIKeyYPYGMUOAHNVMAR-UHFFFAOYSA-N
XLogP1.59
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol with MolForge

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Related Compounds

1-[(2-methoxycyclopentyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 55033364
1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 62086788
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62088574
1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632582
1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632231
1-[[(1S,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]amino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
CID 66992122
(2R)-1-[[(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]amino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
CID 66992121
(2R)-1-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 106932046
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114629454
1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol
CID 106360731
(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 92520942

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (CID 62088573) is 1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)CNC2CCCC2OC)cc1.
What is the InChIKey of 1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is YPYGMUOAHNVMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-19-13-6-8-14(9-7-13)21-11-12(18)10-17-15-4-3-5-16(15)20-2/h6-9,12,15-18H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 295.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 62088573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).