5-(3-methylcyclohexyl)oxynaphthalen-1-amine

C17H21NO — CID 82037851

IUPAC5-(3-methylcyclohexyl)oxynaphthalen-1-amine
SMILESCC1CCCC(Oc2cccc3c(N)cccc23)C1
InChIInChI=1S/C17H21NO/c1-12-5-2-6-13(11-12)19-17-10-4-7-14-15(17)8-3-9-16(14)18/h3-4,7-10,12-13H,2,5-6,11,18H2,1H3
InChIKeyNXBKXCTZJXQENS-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.38
Rot. Bonds2

About 5-(3-methylcyclohexyl)oxynaphthalen-1-amine

5-(3-methylcyclohexyl)oxynaphthalen-1-amine (PubChem CID 82037851) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-(3-methylcyclohexyl)oxynaphthalen-1-amine.

Molecular Properties

Compound Name5-(3-methylcyclohexyl)oxynaphthalen-1-amine
PubChem CID82037851
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name5-(3-methylcyclohexyl)oxynaphthalen-1-amine
SMILESCC1CCCC(Oc2cccc3c(N)cccc23)C1
InChIInChI=1S/C17H21NO/c1-12-5-2-6-13(11-12)19-17-10-4-7-14-15(17)8-3-9-16(14)18/h3-4,7-10,12-13H,2,5-6,11,18H2,1H3
InChIKeyNXBKXCTZJXQENS-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate
CID 112579722
2-amino-3-(3-methylcyclohexyl)oxybenzamide
CID 115547097
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937930
4-amino-3-(3-methylcyclohexyl)oxybenzonitrile
CID 113444310
5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one
CID 65455951
5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline
CID 103590981
2-[2-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 107713283
1-[2-fluoro-6-(3-methylcyclohexyl)oxyphenyl]-N-methylethanamine
CID 43285864
N-methyl-5-(3-methylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455366
3-fluoro-2-(3-methoxycyclohexyl)oxyaniline
CID 104831451
4-cyclohexyloxyquinolin-8-amine
CID 83061131
1-[5-amino-2-(3-methylcyclohexyl)oxyphenyl]ethanone
CID 116541096

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylcyclohexyl)oxynaphthalen-1-amine?
The IUPAC name of 5-(3-methylcyclohexyl)oxynaphthalen-1-amine (CID 82037851) is 5-(3-methylcyclohexyl)oxynaphthalen-1-amine.
What is the SMILES notation for 5-(3-methylcyclohexyl)oxynaphthalen-1-amine?
The canonical SMILES for 5-(3-methylcyclohexyl)oxynaphthalen-1-amine is CC1CCCC(Oc2cccc3c(N)cccc23)C1.
What is the InChIKey of 5-(3-methylcyclohexyl)oxynaphthalen-1-amine?
The InChIKey is NXBKXCTZJXQENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-5-2-6-13(11-12)19-17-10-4-7-14-15(17)8-3-9-16(14)18/h3-4,7-10,12-13H,2,5-6,11,18H2,1H3.
What are the key properties of 5-(3-methylcyclohexyl)oxynaphthalen-1-amine?
5-(3-methylcyclohexyl)oxynaphthalen-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylcyclohexyl)oxynaphthalen-1-amine is sourced from PubChem (CID 82037851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).