2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol

C21H27NO3 — CID 2991831

IUPAC2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol
SMILESCOc1cc(CNC2CCCC2)ccc1OCC(O)c1ccccc1
InChIInChI=1S/C21H27NO3/c1-24-21-13-16(14-22-18-9-5-6-10-18)11-12-20(21)25-15-19(23)17-7-3-2-4-8-17/h2-4,7-8,11-13,18-19,22-23H,5-6,9-10,14-15H2,1H3
InChIKeyLEFVRXOMVVUFKQ-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.84
Rot. Bonds8

About 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol

2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol (PubChem CID 2991831) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol
PubChem CID2991831
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol
SMILESCOc1cc(CNC2CCCC2)ccc1OCC(O)c1ccccc1
InChIInChI=1S/C21H27NO3/c1-24-21-13-16(14-22-18-9-5-6-10-18)11-12-20(21)25-15-19(23)17-7-3-2-4-8-17/h2-4,7-8,11-13,18-19,22-23H,5-6,9-10,14-15H2,1H3
InChIKeyLEFVRXOMVVUFKQ-UHFFFAOYSA-N
XLogP3.84
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42191908
2-[[4-(2-hydroxy-2-phenylethoxy)-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride
CID 2987379
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17293728
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
1-[4-[(cycloheptylamino)methyl]-2-methoxyphenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 45239803
(2R)-1-[benzyl(methyl)amino]-3-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 25282788
(2S)-1-[benzyl(methyl)amino]-3-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 25282784
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17294388
(2R)-1-[4-[(cyclohexylamino)methyl]-2-methoxyphenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 25297739
4-[(cyclopentylamino)methyl]-2-methoxybenzoic acid
CID 117220016
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294662

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol?
The IUPAC name of 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol (CID 2991831) is 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol.
What is the SMILES notation for 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol?
The canonical SMILES for 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol is COc1cc(CNC2CCCC2)ccc1OCC(O)c1ccccc1.
What is the InChIKey of 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol?
The InChIKey is LEFVRXOMVVUFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-24-21-13-16(14-22-18-9-5-6-10-18)11-12-20(21)25-15-19(23)17-7-3-2-4-8-17/h2-4,7-8,11-13,18-19,22-23H,5-6,9-10,14-15H2,1H3.
What are the key properties of 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol?
2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol has a molecular weight of 341.45 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol is sourced from PubChem (CID 2991831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).