2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol

C16H25NO — CID 79127744

IUPAC2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)C1(CN)CCCc2ccccc21
InChIInChI=1S/C16H25NO/c1-12(2)15(3,18)16(11-17)10-6-8-13-7-4-5-9-14(13)16/h4-5,7,9,12,18H,6,8,10-11,17H2,1-3H3
InChIKeyOQZMFYMEEMPWPL-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.63
Rot. Bonds3

About 2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol

2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol (PubChem CID 79127744) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol
PubChem CID79127744
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)C1(CN)CCCc2ccccc21
InChIInChI=1S/C16H25NO/c1-12(2)15(3,18)16(11-17)10-6-8-13-7-4-5-9-14(13)16/h4-5,7,9,12,18H,6,8,10-11,17H2,1-3H3
InChIKeyOQZMFYMEEMPWPL-UHFFFAOYSA-N
XLogP2.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile
CID 79129351
2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol
CID 66091440
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
1-(3-hydroxy-2-methylpentan-3-yl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79129368
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 79125723
[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 63521983
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(5-fluoro-2-pyridinyl)ethanol
CID 83110784
1-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 43809321
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 43271968
1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine
CID 43265604
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol
CID 116503441

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol?
The IUPAC name of 2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol (CID 79127744) is 2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol is CC(C)C(C)(O)C1(CN)CCCc2ccccc21.
What is the InChIKey of 2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol?
The InChIKey is OQZMFYMEEMPWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)15(3,18)16(11-17)10-6-8-13-7-4-5-9-14(13)16/h4-5,7,9,12,18H,6,8,10-11,17H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol?
2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 79127744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).