[(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol

C21H27NO — CID 141015716

IUPAC[(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol
SMILESC[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CCC[C@@H]1CO
InChIInChI=1S/C21H27NO/c1-17(19-11-6-3-7-12-19)22(15-18-9-4-2-5-10-18)21-14-8-13-20(21)16-23/h2-7,9-12,17,20-21,23H,8,13-16H2,1H3/t17-,20-,21-/m1/s1
InChIKeyJBQYHXYTQUATSY-DUXKGJEZSA-N
MW309.45 g/mol
LogP4.41
Rot. Bonds6

About [(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol

[(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol (PubChem CID 141015716) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is [(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol
PubChem CID141015716
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name[(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol
SMILESC[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CCC[C@@H]1CO
InChIInChI=1S/C21H27NO/c1-17(19-11-6-3-7-12-19)22(15-18-9-4-2-5-10-18)21-14-8-13-20(21)16-23/h2-7,9-12,17,20-21,23H,8,13-16H2,1H3/t17-,20-,21-/m1/s1
InChIKeyJBQYHXYTQUATSY-DUXKGJEZSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,4S,5S)-5-[benzyl-[(1S)-1-phenylethyl]amino]-4-(hydroxymethyl)cycloheptane-1,2-diol
CID 135033607
trans-methyl (1S,6S)-2-[benzyl-[(1S)-1-phenylethyl]amino]-6-(2-methoxy-2-oxoethyl)cyclohexane-1-carboxylate
CID 138974787
trans-tert-butyl (1S,2S)-2-[benzyl-[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylate
CID 140502070
cis-tert-butyl (1S,2R)-2-[benzyl-[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylate
CID 10385071
(1R,6S,7R)-7-[benzyl-[(1S)-1-phenylethyl]amino]-6-(hydroxymethyl)cyclohept-3-en-1-ol
CID 132542798
(3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol
CID 16724918
methyl (1R,2R,5R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-5-(2-methoxy-2-oxoethyl)cyclopentane-1-carboxylate
CID 10971596
(3R,4S)-N,1-dibenzyl-4-methyl-N-[(1S)-1-phenylethyl]pyrrolidin-3-amine
CID 16725041
(4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one
CID 24745568
tert-butyl (3R)-3-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidine-1-carboxylate
CID 16724784
3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
CID 82328438
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol?
The IUPAC name of [(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol (CID 141015716) is [(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol.
What is the SMILES notation for [(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol?
The canonical SMILES for [(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol is C[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CCC[C@@H]1CO.
What is the InChIKey of [(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol?
The InChIKey is JBQYHXYTQUATSY-DUXKGJEZSA-N. The full InChI is InChI=1S/C21H27NO/c1-17(19-11-6-3-7-12-19)22(15-18-9-4-2-5-10-18)21-14-8-13-20(21)16-23/h2-7,9-12,17,20-21,23H,8,13-16H2,1H3/t17-,20-,21-/m1/s1.
What are the key properties of [(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol?
[(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol has a molecular weight of 309.45 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol is sourced from PubChem (CID 141015716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).