1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol

C17H21NO2 — CID 60888672

IUPAC1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol
SMILESCC(O)COc1ccc2ccccc2c1CNC1CC1
InChIInChI=1S/C17H21NO2/c1-12(19)11-20-17-9-6-13-4-2-3-5-15(13)16(17)10-18-14-7-8-14/h2-6,9,12,14,18-19H,7-8,10-11H2,1H3
InChIKeyPNMBLZBMRMETDA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.85
Rot. Bonds6

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

1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol (PubChem CID 60888672) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol.

Molecular Properties

Compound Name1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol
PubChem CID60888672
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol
SMILESCC(O)COc1ccc2ccccc2c1CNC1CC1
InChIInChI=1S/C17H21NO2/c1-12(19)11-20-17-9-6-13-4-2-3-5-15(13)16(17)10-18-14-7-8-14/h2-6,9,12,14,18-19H,7-8,10-11H2,1H3
InChIKeyPNMBLZBMRMETDA-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine
CID 80698952
1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
CID 60888861
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclopropanamine
CID 4721070
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
CID 4721414
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride
CID 17054828
N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053729
4-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 166226885
3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
CID 54848926
1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol
CID 60889616
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine
CID 4715827
N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
CID 82926082

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol?
The IUPAC name of 1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol (CID 60888672) is 1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol.
What is the SMILES notation for 1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol?
The canonical SMILES for 1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol is CC(O)COc1ccc2ccccc2c1CNC1CC1.
What is the InChIKey of 1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol?
The InChIKey is PNMBLZBMRMETDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(19)11-20-17-9-6-13-4-2-3-5-15(13)16(17)10-18-14-7-8-14/h2-6,9,12,14,18-19H,7-8,10-11H2,1H3.
What are the key properties of 1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol?
1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol is sourced from PubChem (CID 60888672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).