1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol

C16H25NO2 — CID 130373175

IUPAC1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol
SMILESCC(CN)Cc1cccc(OCC2(O)CCCC2)c1
InChIInChI=1S/C16H25NO2/c1-13(11-17)9-14-5-4-6-15(10-14)19-12-16(18)7-2-3-8-16/h4-6,10,13,18H,2-3,7-9,11-12,17H2,1H3
InChIKeyINZVOXDWQZWMNE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.51
Rot. Bonds6

About 1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol

1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol (PubChem CID 130373175) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol
PubChem CID130373175
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol
SMILESCC(CN)Cc1cccc(OCC2(O)CCCC2)c1
InChIInChI=1S/C16H25NO2/c1-13(11-17)9-14-5-4-6-15(10-14)19-12-16(18)7-2-3-8-16/h4-6,10,13,18H,2-3,7-9,11-12,17H2,1H3
InChIKeyINZVOXDWQZWMNE-UHFFFAOYSA-N
XLogP2.51
TPSA55.48 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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]propanal
CID 130373163
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208592
1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65212811
1-[(3-butylphenoxy)methyl]cycloheptan-1-ol
CID 69097308
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol
CID 153216457
3-(3-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114522991
(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine
CID 126619606
(2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine
CID 97057965
1-[(3-propoxyphenoxy)methyl]cyclopentan-1-ol
CID 69097510
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol (CID 130373175) is 1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol is CC(CN)Cc1cccc(OCC2(O)CCCC2)c1.
What is the InChIKey of 1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol?
The InChIKey is INZVOXDWQZWMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(11-17)9-14-5-4-6-15(10-14)19-12-16(18)7-2-3-8-16/h4-6,10,13,18H,2-3,7-9,11-12,17H2,1H3.
What are the key properties of 1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol?
1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol is sourced from PubChem (CID 130373175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).