(2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride

C14H22ClNO — CID 91662998

IUPAC(2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride
SMILESCC[C@@H](CO)NC1CCc2ccccc2C1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-2-13(10-16)15-14-8-7-11-5-3-4-6-12(11)9-14;/h3-6,13-16H,2,7-10H2,1H3;1H/t13-,14?;/m0./s1
InChIKeyCXNGRYADFASODQ-GPFYXIAXSA-N
MW255.79 g/mol
LogP2.33
Rot. Bonds4

About (2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride

(2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride (PubChem CID 91662998) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is (2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride
PubChem CID91662998
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name(2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride
SMILESCC[C@@H](CO)NC1CCc2ccccc2C1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-2-13(10-16)15-14-8-7-11-5-3-4-6-12(11)9-14;/h3-6,13-16H,2,7-10H2,1H3;1H/t13-,14?;/m0./s1
InChIKeyCXNGRYADFASODQ-GPFYXIAXSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol
CID 93026650
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223105
4-methyl-N-(4-methylphenyl)sulfonyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pentyl]benzenesulfonamide;hydrochloride
CID 67804041
N-[1-(2-fluorophenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115994378
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55153023
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81351587
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 19926577
1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propane-1,2-diamine
CID 82944891
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
N-[1-(3-fluorophenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114871531

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride (CID 91662998) is (2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride is CC[C@@H](CO)NC1CCc2ccccc2C1.Cl.
What is the InChIKey of (2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride?
The InChIKey is CXNGRYADFASODQ-GPFYXIAXSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-2-13(10-16)15-14-8-7-11-5-3-4-6-12(11)9-14;/h3-6,13-16H,2,7-10H2,1H3;1H/t13-,14?;/m0./s1.
What are the key properties of (2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride?
(2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride is sourced from PubChem (CID 91662998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).