N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid

C16H19NO5 — CID 2949357

IUPACN-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
SMILESCNCCCOc1cccc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C14H17NO.C2H2O4/c1-15-10-5-11-16-14-9-4-7-12-6-2-3-8-13(12)14;3-1(4)2(5)6/h2-4,6-9,15H,5,10-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyCEJPYLFPWQDEGO-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid

N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid (PubChem CID 2949357) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid.

Molecular Properties

Compound NameN-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
PubChem CID2949357
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
SMILESCNCCCOc1cccc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C14H17NO.C2H2O4/c1-15-10-5-11-16-14-9-4-7-12-6-2-3-8-13(12)14;3-1(4)2(5)6/h2-4,6-9,15H,5,10-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyCEJPYLFPWQDEGO-UHFFFAOYSA-N
XLogP1.98
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
N-methyl-2-(2-naphthalen-1-yloxyethoxy)ethanamine
CID 82085820
butyl N-(2-naphthalen-1-yloxyethyl)carbamate
CID 19174706
1-butoxynaphthalene
CID 13262700
1-[3-(methylamino)propyl]-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;hydrochloride
CID 175730080
N-methylmethanamine;1-(3-phenylpropoxy)naphthalene
CID 142048688
2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 2063074
2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220464
3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
CID 2183626
(2R)-N-(2-naphthalen-1-yloxyethyl)-2,3-diphenylpropanamide
CID 27154473
2-naphthalen-1-yloxyethyl acetate
CID 23049663
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid?
The IUPAC name of N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid (CID 2949357) is N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid.
What is the SMILES notation for N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid?
The canonical SMILES for N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid is CNCCCOc1cccc2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid?
The InChIKey is CEJPYLFPWQDEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C2H2O4/c1-15-10-5-11-16-14-9-4-7-12-6-2-3-8-13(12)14;3-1(4)2(5)6/h2-4,6-9,15H,5,10-11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid?
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid has a molecular weight of 305.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid is sourced from PubChem (CID 2949357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).