(1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol

C12H17NO — CID 115420649

IUPAC(1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol
SMILESCC1CC(CO)C(N)c2ccccc21
InChIInChI=1S/C12H17NO/c1-8-6-9(7-14)12(13)11-5-3-2-4-10(8)11/h2-5,8-9,12,14H,6-7,13H2,1H3
InChIKeyVJRKQHBOKJNWJC-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.80
Rot. Bonds1

About (1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol

(1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol (PubChem CID 115420649) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol
PubChem CID115420649
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol
SMILESCC1CC(CO)C(N)c2ccccc21
InChIInChI=1S/C12H17NO/c1-8-6-9(7-14)12(13)11-5-3-2-4-10(8)11/h2-5,8-9,12,14H,6-7,13H2,1H3
InChIKeyVJRKQHBOKJNWJC-UHFFFAOYSA-N
XLogP1.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113306113
[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 96762744
(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 640582
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]methanamine
CID 58681536
2-(3,4-dimethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419084
4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419081
2-N-(2-methoxyethyl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418942
4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420529
[2-(2-aminophenyl)cyclopropyl]methanol
CID 115012846

Frequently Asked Questions

What is the IUPAC name of (1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The IUPAC name of (1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol (CID 115420649) is (1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol.
What is the SMILES notation for (1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The canonical SMILES for (1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol is CC1CC(CO)C(N)c2ccccc21.
What is the InChIKey of (1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The InChIKey is VJRKQHBOKJNWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-6-9(7-14)12(13)11-5-3-2-4-10(8)11/h2-5,8-9,12,14H,6-7,13H2,1H3.
What are the key properties of (1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
(1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol has a molecular weight of 191.27 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol is sourced from PubChem (CID 115420649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).