1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol

C17H23NO2 — CID 62368265

IUPAC1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNCc1cccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-13(2)20-12-16(19)11-18-10-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,13,16,18-19H,10-12H2,1-2H3
InChIKeyQQVPUPKTXROANL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.72
Rot. Bonds7

About 1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol

1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol (PubChem CID 62368265) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol
PubChem CID62368265
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNCc1cccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-13(2)20-12-16(19)11-18-10-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,13,16,18-19H,10-12H2,1-2H3
InChIKeyQQVPUPKTXROANL-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid
CID 171155033
2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol
CID 114331941
1-[(3-bromophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 61401180
(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 94611679
1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81426934
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
5-(naphthalen-1-ylmethylamino)pentan-2-ol
CID 107267647
1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol
CID 111425237
1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989494
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 115250859
1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 60632998

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol (CID 62368265) is 1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNCc1cccc2ccccc12.
What is the InChIKey of 1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol?
The InChIKey is QQVPUPKTXROANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(2)20-12-16(19)11-18-10-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,13,16,18-19H,10-12H2,1-2H3.
What are the key properties of 1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol?
1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 62368265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).