(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

C13H19NO2 — CID 66514299

IUPAC(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESCOc1cc2c(cc1[C@@H](N)CO)CCCC2
InChIInChI=1S/C13H19NO2/c1-16-13-7-10-5-3-2-4-9(10)6-11(13)12(14)8-15/h6-7,12,15H,2-5,8,14H2,1H3/t12-/m0/s1
InChIKeyBSGQWECJVFDCSE-LBPRGKRZSA-N
MW221.30 g/mol
LogP1.57
Rot. Bonds3

About (2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (PubChem CID 66514299) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
PubChem CID66514299
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESCOc1cc2c(cc1[C@@H](N)CO)CCCC2
InChIInChI=1S/C13H19NO2/c1-16-13-7-10-5-3-2-4-9(10)6-11(13)12(14)8-15/h6-7,12,15H,2-5,8,14H2,1H3/t12-/m0/s1
InChIKeyBSGQWECJVFDCSE-LBPRGKRZSA-N
XLogP1.57
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine
CID 117339337
2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386584
2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369704
2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid
CID 17389866
(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 66516031
(2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 66516038
5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid
CID 117326312
2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)ethanol
CID 77130562
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (CID 66514299) is (2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is COc1cc2c(cc1[C@@H](N)CO)CCCC2.
What is the InChIKey of (2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The InChIKey is BSGQWECJVFDCSE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-13-7-10-5-3-2-4-9(10)6-11(13)12(14)8-15/h6-7,12,15H,2-5,8,14H2,1H3/t12-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 66514299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).