1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol

C14H17NO2 — CID 60888861

IUPAC1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
SMILESCC(O)COc1ccc2ccccc2c1CN
InChIInChI=1S/C14H17NO2/c1-10(16)9-17-14-7-6-11-4-2-3-5-12(11)13(14)8-15/h2-7,10,16H,8-9,15H2,1H3
InChIKeyFVTVGDBCRXBIIZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.06
Rot. Bonds4

About 1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol

1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol (PubChem CID 60888861) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
PubChem CID60888861
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
SMILESCC(O)COc1ccc2ccccc2c1CN
InChIInChI=1S/C14H17NO2/c1-10(16)9-17-14-7-6-11-4-2-3-5-12(11)13(14)8-15/h2-7,10,16H,8-9,15H2,1H3
InChIKeyFVTVGDBCRXBIIZ-UHFFFAOYSA-N
XLogP2.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylpentoxy)naphthalen-1-yl]methanamine
CID 62266046
3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol
CID 63901440
1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol
CID 60888672
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344
[2-(ethoxymethoxy)naphthalen-1-yl]methanamine
CID 65369670
1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol
CID 14692873
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
[2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine
CID 20984389
1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol
CID 57388173
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]methanamine
CID 20985427
1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol
CID 60889616

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol?
The IUPAC name of 1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol (CID 60888861) is 1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol.
What is the SMILES notation for 1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol?
The canonical SMILES for 1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol is CC(O)COc1ccc2ccccc2c1CN.
What is the InChIKey of 1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol?
The InChIKey is FVTVGDBCRXBIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(16)9-17-14-7-6-11-4-2-3-5-12(11)13(14)8-15/h2-7,10,16H,8-9,15H2,1H3.
What are the key properties of 1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol?
1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol has a molecular weight of 231.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol is sourced from PubChem (CID 60888861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).