1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol

C12H17NO — CID 115419502

IUPAC1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1CCC(O)(CN)c2ccccc21
InChIInChI=1S/C12H17NO/c1-9-6-7-12(14,8-13)11-5-3-2-4-10(9)11/h2-5,9,14H,6-8,13H2,1H3
InChIKeyREDLTQDLOWCACY-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.73
Rot. Bonds1

About 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol

1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 115419502) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID115419502
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1CCC(O)(CN)c2ccccc21
InChIInChI=1S/C12H17NO/c1-9-6-7-12(14,8-13)11-5-3-2-4-10(9)11/h2-5,9,14H,6-8,13H2,1H3
InChIKeyREDLTQDLOWCACY-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419566
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
1-[(2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419563
1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419671
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 82870214
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115420935
1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 102856985
1-(aminomethyl)-N-ethyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 113305935
3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol
CID 113305944
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419578
5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 54036827
1-(aminomethyl)-N-but-3-ynyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 116641058

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (CID 115419502) is 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is CC1CCC(O)(CN)c2ccccc21.
What is the InChIKey of 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is REDLTQDLOWCACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-6-7-12(14,8-13)11-5-3-2-4-10(9)11/h2-5,9,14H,6-8,13H2,1H3.
What are the key properties of 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 115419502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).