1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol

C17H27NO3 — CID 103156690

IUPAC1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol
SMILESCOc1cc([C@@H](C)N)ccc1OCC(O)CC1CCCC1
InChIInChI=1S/C17H27NO3/c1-12(18)14-7-8-16(17(10-14)20-2)21-11-15(19)9-13-5-3-4-6-13/h7-8,10,12-13,15,19H,3-6,9,11,18H2,1-2H3/t12-,15?/m1/s1
InChIKeyQNSHHYVMHRSBMX-KEKZHRQWSA-N
MW293.41 g/mol
LogP3.03
Rot. Bonds7

About 1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol

1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol (PubChem CID 103156690) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol
PubChem CID103156690
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol
SMILESCOc1cc([C@@H](C)N)ccc1OCC(O)CC1CCCC1
InChIInChI=1S/C17H27NO3/c1-12(18)14-7-8-16(17(10-14)20-2)21-11-15(19)9-13-5-3-4-6-13/h7-8,10,12-13,15,19H,3-6,9,11,18H2,1-2H3/t12-,15?/m1/s1
InChIKeyQNSHHYVMHRSBMX-KEKZHRQWSA-N
XLogP3.03
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
1-cyclopentyl-3-(4-ethyl-2-methoxyphenoxy)propan-2-ol
CID 103260703
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol
CID 103159069
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 50896740
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669
1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
CID 103158944
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid
CID 103156154
1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 79004884

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol (CID 103156690) is 1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol is COc1cc([C@@H](C)N)ccc1OCC(O)CC1CCCC1.
What is the InChIKey of 1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol?
The InChIKey is QNSHHYVMHRSBMX-KEKZHRQWSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(18)14-7-8-16(17(10-14)20-2)21-11-15(19)9-13-5-3-4-6-13/h7-8,10,12-13,15,19H,3-6,9,11,18H2,1-2H3/t12-,15?/m1/s1.
What are the key properties of 1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol?
1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103156690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).