(2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol

C14H21NO — CID 93026650

IUPAC(2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol
SMILESCC[C@@H](CO)N[C@@H]1CCc2ccccc2C1
InChIInChI=1S/C14H21NO/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/t13-,14+/m0/s1
InChIKeyAJXNCCRPVSQURY-UONOGXRCSA-N
MW219.33 g/mol
LogP1.90
Rot. Bonds4

About (2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol

(2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol (PubChem CID 93026650) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol
PubChem CID93026650
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol
SMILESCC[C@@H](CO)N[C@@H]1CCc2ccccc2C1
InChIInChI=1S/C14H21NO/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/t13-,14+/m0/s1
InChIKeyAJXNCCRPVSQURY-UONOGXRCSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride
CID 91662998
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223105
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
4-methyl-N-(4-methylphenyl)sulfonyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pentyl]benzenesulfonamide;hydrochloride
CID 67804041
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-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol?
The IUPAC name of (2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol (CID 93026650) is (2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol?
The canonical SMILES for (2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol is CC[C@@H](CO)N[C@@H]1CCc2ccccc2C1.
What is the InChIKey of (2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol?
The InChIKey is AJXNCCRPVSQURY-UONOGXRCSA-N. The full InChI is InChI=1S/C14H21NO/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/t13-,14+/m0/s1.
What are the key properties of (2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol?
(2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol is sourced from PubChem (CID 93026650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).