1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid

C16H19NO5 — CID 171155033

IUPAC1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid
SMILESCC(O)CNCc1cccc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C14H17NO.C2H2O4/c1-11(16)9-15-10-13-7-4-6-12-5-2-3-8-14(12)13;3-1(4)2(5)6/h2-8,11,15-16H,9-10H2,1H3;(H,3,4)(H,5,6)
InChIKeyFUOZYGNASMUYKT-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.47
Rot. Bonds4

About 1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid

1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid (PubChem CID 171155033) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid
PubChem CID171155033
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid
SMILESCC(O)CNCc1cccc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C14H17NO.C2H2O4/c1-11(16)9-15-10-13-7-4-6-12-5-2-3-8-14(12)13;3-1(4)2(5)6/h2-8,11,15-16H,9-10H2,1H3;(H,3,4)(H,5,6)
InChIKeyFUOZYGNASMUYKT-UHFFFAOYSA-N
XLogP1.47
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol
CID 62368265
5-(naphthalen-1-ylmethylamino)pentan-2-ol
CID 107267647
3-(ethylamino)-2-methyl-N-(naphthalen-1-ylmethyl)propanamide
CID 62839648
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 115250859
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
(2S)-1-(benzylamino)propan-2-ol
CID 964914
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
N,N-dimethyl-2-(naphthalen-1-ylmethylamino)acetamide
CID 21468663
N-tert-butyl-2-(naphthalen-1-ylmethylamino)propanamide
CID 62050441
3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
CID 62965446
1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17293836

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid?
The IUPAC name of 1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid (CID 171155033) is 1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid.
What is the SMILES notation for 1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid?
The canonical SMILES for 1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid is CC(O)CNCc1cccc2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of 1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid?
The InChIKey is FUOZYGNASMUYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C2H2O4/c1-11(16)9-15-10-13-7-4-6-12-5-2-3-8-14(12)13;3-1(4)2(5)6/h2-8,11,15-16H,9-10H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid?
1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid has a molecular weight of 305.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid is sourced from PubChem (CID 171155033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).