2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol

C19H25NO — CID 81390203

IUPAC2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol
SMILESC[C@H](NCC(O)c1ccc2ccccc2c1)C1CCCC1
InChIInChI=1S/C19H25NO/c1-14(15-6-2-3-7-15)20-13-19(21)18-11-10-16-8-4-5-9-17(16)12-18/h4-5,8-12,14-15,19-21H,2-3,6-7,13H2,1H3/t14-,19?/m0/s1
InChIKeyMHZGKZSSJAZLDA-KTQQKIMGSA-N
MW283.42 g/mol
LogP4.04
Rot. Bonds5

About 2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol

2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol (PubChem CID 81390203) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol
PubChem CID81390203
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol
SMILESC[C@H](NCC(O)c1ccc2ccccc2c1)C1CCCC1
InChIInChI=1S/C19H25NO/c1-14(15-6-2-3-7-15)20-13-19(21)18-11-10-16-8-4-5-9-17(16)12-18/h4-5,8-12,14-15,19-21H,2-3,6-7,13H2,1H3/t14-,19?/m0/s1
InChIKeyMHZGKZSSJAZLDA-KTQQKIMGSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
2-(2-cyclopropylpropylamino)-1-naphthalen-2-ylethanol
CID 115591800
1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
CID 81393437
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
CID 81396302
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051
cyclopentyl(naphthalen-2-yl)methanol
CID 62715022
2-(cyclohexylmethylamino)-1-naphthalen-2-ylethanol
CID 60901818
(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide
CID 61464613
(1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124593831

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol?
The IUPAC name of 2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol (CID 81390203) is 2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol is C[C@H](NCC(O)c1ccc2ccccc2c1)C1CCCC1.
What is the InChIKey of 2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol?
The InChIKey is MHZGKZSSJAZLDA-KTQQKIMGSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(15-6-2-3-7-15)20-13-19(21)18-11-10-16-8-4-5-9-17(16)12-18/h4-5,8-12,14-15,19-21H,2-3,6-7,13H2,1H3/t14-,19?/m0/s1.
What are the key properties of 2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol?
2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol has a molecular weight of 283.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 81390203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).