[(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol

C20H25NO2 — CID 141211633

IUPAC[(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol
SMILESN[C@]1(CO)CC[C@@H](c2ccc(OCCc3ccccc3)cc2)C1
InChIInChI=1S/C20H25NO2/c21-20(15-22)12-10-18(14-20)17-6-8-19(9-7-17)23-13-11-16-4-2-1-3-5-16/h1-9,18,22H,10-15,21H2/t18-,20-/m1/s1
InChIKeyUJRYFSHELSGTLC-UYAOXDASSA-N
MW311.42 g/mol
LogP3.27
Rot. Bonds6

About [(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol

[(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol (PubChem CID 141211633) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is [(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol
PubChem CID141211633
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC Name[(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol
SMILESN[C@]1(CO)CC[C@@H](c2ccc(OCCc3ccccc3)cc2)C1
InChIInChI=1S/C20H25NO2/c21-20(15-22)12-10-18(14-20)17-6-8-19(9-7-17)23-13-11-16-4-2-1-3-5-16/h1-9,18,22H,10-15,21H2/t18-,20-/m1/s1
InChIKeyUJRYFSHELSGTLC-UYAOXDASSA-N
XLogP3.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol
CID 68934675
[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
CID 67361364
[(1S,3R)-1-amino-3-[4-(3-phenylprop-1-ynyl)phenyl]cyclopentyl]methanol
CID 68937868
[1-amino-3-(4-bromophenyl)cyclopentyl]methanol
CID 77272966
[(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
CID 25009740
[(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118899941
[(1R,3S)-1-amino-3-[4-(7-methoxyheptyl)phenyl]cyclopentyl]methanol;trans-methyl (1R,3S)-1-amino-3-[4-(7-methoxyheptyl)phenyl]cyclopentane-1-carboxylate
CID 159219495
[(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol
CID 143710483
lithium;[(1R,3R)-1-amino-3-(4-octoxyphenyl)cyclopentyl]methanol;(5R,8R)-8-(4-octoxyphenyl)-3-oxa-1-azaspiro[4.4]nonan-2-one;hydroxide;hydrochloride
CID 158293340
[(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 175065005
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
[1-amino-3-(4-octylphenyl)cyclohexyl]methanol
CID 68937152

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol?
The IUPAC name of [(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol (CID 141211633) is [(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol.
What is the SMILES notation for [(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol?
The canonical SMILES for [(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol is N[C@]1(CO)CC[C@@H](c2ccc(OCCc3ccccc3)cc2)C1.
What is the InChIKey of [(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol?
The InChIKey is UJRYFSHELSGTLC-UYAOXDASSA-N. The full InChI is InChI=1S/C20H25NO2/c21-20(15-22)12-10-18(14-20)17-6-8-19(9-7-17)23-13-11-16-4-2-1-3-5-16/h1-9,18,22H,10-15,21H2/t18-,20-/m1/s1.
What are the key properties of [(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol?
[(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol has a molecular weight of 311.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol is sourced from PubChem (CID 141211633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).