(2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol

C13H20N2O — CID 107862243

IUPAC(2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol
SMILESNC1CCC(N[C@H](CO)c2ccccc2)C1
InChIInChI=1S/C13H20N2O/c14-11-6-7-12(8-11)15-13(9-16)10-4-2-1-3-5-10/h1-5,11-13,15-16H,6-9,14H2/t11?,12?,13-/m1/s1
InChIKeyYZWPBWDSAUKSOG-WXRRBKDZSA-N
MW220.32 g/mol
LogP1.19
Rot. Bonds4

About (2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol

(2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol (PubChem CID 107862243) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol
PubChem CID107862243
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol
SMILESNC1CCC(N[C@H](CO)c2ccccc2)C1
InChIInChI=1S/C13H20N2O/c14-11-6-7-12(8-11)15-13(9-16)10-4-2-1-3-5-10/h1-5,11-13,15-16H,6-9,14H2/t11?,12?,13-/m1/s1
InChIKeyYZWPBWDSAUKSOG-WXRRBKDZSA-N
XLogP1.19
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
2-[(3-ethylcyclopentyl)amino]-2-phenylethanol
CID 64500919
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)-2-phenylethanol
CID 103788767
4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine
CID 62313676
(2R)-2-[(1,2-dimethylpiperidin-4-yl)amino]-2-phenylethanol
CID 103788675
(2S)-2-[(1,1-dioxothian-4-yl)amino]-2-phenylethanol
CID 114010168
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate
CID 107862557
2-[(3-aminocyclopentyl)amino]propane-1,3-diol
CID 79461491
4-N-(1-phenylpentyl)cyclohexane-1,4-diamine
CID 62319614
(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol
CID 95026932
2-[[3-(4-fluorophenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182164

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol (CID 107862243) is (2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol is NC1CCC(N[C@H](CO)c2ccccc2)C1.
What is the InChIKey of (2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol?
The InChIKey is YZWPBWDSAUKSOG-WXRRBKDZSA-N. The full InChI is InChI=1S/C13H20N2O/c14-11-6-7-12(8-11)15-13(9-16)10-4-2-1-3-5-10/h1-5,11-13,15-16H,6-9,14H2/t11?,12?,13-/m1/s1.
What are the key properties of (2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol?
(2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol has a molecular weight of 220.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol is sourced from PubChem (CID 107862243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).