(5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol

C12H17NO — CID 130044029

IUPAC(5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol
SMILESCc1ccc(CO)c2c1C(N)CCC2
InChIInChI=1S/C12H17NO/c1-8-5-6-9(7-14)10-3-2-4-11(13)12(8)10/h5-6,11,14H,2-4,7,13H2,1H3
InChIKeyOWPCHARIJPQSGK-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.82
Rot. Bonds1

About (5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol

(5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol (PubChem CID 130044029) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol
PubChem CID130044029
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol
SMILESCc1ccc(CO)c2c1C(N)CCC2
InChIInChI=1S/C12H17NO/c1-8-5-6-9(7-14)10-3-2-4-11(13)12(8)10/h5-6,11,14H,2-4,7,13H2,1H3
InChIKeyOWPCHARIJPQSGK-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(7-methyl-2,3-dihydro-1H-inden-4-yl)methanol
CID 117276140
(1R)-5-ethyl-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130691697
(5S)-5-amino-4-ethyl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 131096656
5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 151605178
(5S)-1-ethoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014230
(1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130985321
2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 82076847
(1S)-8-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130648464
[(5R)-5-amino-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]methanol
CID 130701464
(1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine
CID 130692932
(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417474
4-(hydroxymethyl)-7-methyl-3H-2-benzofuran-1-one
CID 130130101

Frequently Asked Questions

What is the IUPAC name of (5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol?
The IUPAC name of (5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol (CID 130044029) is (5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol.
What is the SMILES notation for (5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol?
The canonical SMILES for (5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol is Cc1ccc(CO)c2c1C(N)CCC2.
What is the InChIKey of (5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol?
The InChIKey is OWPCHARIJPQSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-5-6-9(7-14)10-3-2-4-11(13)12(8)10/h5-6,11,14H,2-4,7,13H2,1H3.
What are the key properties of (5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol?
(5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol has a molecular weight of 191.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol is sourced from PubChem (CID 130044029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).