2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol

C19H31NO3 — CID 109394116

IUPAC2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCC(C)c1ccccc1OCC(O)CN(C)CC1CCCC1O
InChIInChI=1S/C19H31NO3/c1-14(2)17-8-4-5-10-19(17)23-13-16(21)12-20(3)11-15-7-6-9-18(15)22/h4-5,8,10,14-16,18,21-22H,6-7,9,11-13H2,1-3H3
InChIKeyMICRWFYGDAJKOP-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.64
Rot. Bonds8

About 2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol

2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 109394116) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID109394116
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCC(C)c1ccccc1OCC(O)CN(C)CC1CCCC1O
InChIInChI=1S/C19H31NO3/c1-14(2)17-8-4-5-10-19(17)23-13-16(21)12-20(3)11-15-7-6-9-18(15)22/h4-5,8,10,14-16,18,21-22H,6-7,9,11-13H2,1-3H3
InChIKeyMICRWFYGDAJKOP-UHFFFAOYSA-N
XLogP2.64
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
CID 46863798
2-[[[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-methylamino]methyl]cyclopentan-1-ol
CID 109394110
(2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 95232149
2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol
CID 109394088
2-[3-[cyclobutylmethyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 62861669
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
(2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 35583289
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4966118
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4877000
1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898544
1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 167244236

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol (CID 109394116) is 2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol is CC(C)c1ccccc1OCC(O)CN(C)CC1CCCC1O.
What is the InChIKey of 2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is MICRWFYGDAJKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-14(2)17-8-4-5-10-19(17)23-13-16(21)12-20(3)11-15-7-6-9-18(15)22/h4-5,8,10,14-16,18,21-22H,6-7,9,11-13H2,1-3H3.
What are the key properties of 2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol?
2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 321.46 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109394116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).