(1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine

C19H25NO — CID 64747480

IUPAC(1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine
SMILESCC1CCC(Oc2c([C@H](C)N)ccc3ccccc23)CC1
InChIInChI=1S/C19H25NO/c1-13-7-10-16(11-8-13)21-19-17(14(2)20)12-9-15-5-3-4-6-18(15)19/h3-6,9,12-14,16H,7-8,10-11,20H2,1-2H3/t13?,14-,16?/m0/s1
InChIKeyZSHOAGXLBUMYAA-BBBYJDLNSA-N
MW283.42 g/mol
LogP4.82
Rot. Bonds3

About (1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine

(1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine (PubChem CID 64747480) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine
PubChem CID64747480
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine
SMILESCC1CCC(Oc2c([C@H](C)N)ccc3ccccc23)CC1
InChIInChI=1S/C19H25NO/c1-13-7-10-16(11-8-13)21-19-17(14(2)20)12-9-15-5-3-4-6-18(15)19/h3-6,9,12-14,16H,7-8,10-11,20H2,1-2H3/t13?,14-,16?/m0/s1
InChIKeyZSHOAGXLBUMYAA-BBBYJDLNSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexyloxynaphthalen-2-yl)ethanamine
CID 43475177
1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 114058879
2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol
CID 60889031
(1R)-1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethanamine
CID 78937490
(1S)-1-(1-cyclopentyloxynaphthalen-2-yl)ethanol
CID 78933591
1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
CID 82927028
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N-cyclopropylacetamide
CID 63368493
[2-(4-methylcyclohexyl)oxynaphthalen-1-yl]methanol
CID 64748926
(1R)-1-[1-(oxan-2-ylmethoxy)naphthalen-2-yl]ethanamine
CID 63368500
(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
CID 63368514
2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile
CID 141397913
1-[1-[2-(oxolan-2-yl)ethoxy]naphthalen-2-yl]ethanamine
CID 65158928

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine?
The IUPAC name of (1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine (CID 64747480) is (1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine is CC1CCC(Oc2c([C@H](C)N)ccc3ccccc23)CC1.
What is the InChIKey of (1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine?
The InChIKey is ZSHOAGXLBUMYAA-BBBYJDLNSA-N. The full InChI is InChI=1S/C19H25NO/c1-13-7-10-16(11-8-13)21-19-17(14(2)20)12-9-15-5-3-4-6-18(15)19/h3-6,9,12-14,16H,7-8,10-11,20H2,1-2H3/t13?,14-,16?/m0/s1.
What are the key properties of (1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine?
(1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine is sourced from PubChem (CID 64747480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).