N-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine

C23H28N2O — CID 57146753

IUPACN-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine
SMILESCC(CNCc1ccccc1)Oc1ccc2ccccc2c1CN(C)C
InChIInChI=1S/C23H28N2O/c1-18(15-24-16-19-9-5-4-6-10-19)26-23-14-13-20-11-7-8-12-21(20)22(23)17-25(2)3/h4-14,18,24H,15-17H2,1-3H3
InChIKeyHTYKQWBJHIUPJI-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.46
Rot. Bonds8

About N-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine

N-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine (PubChem CID 57146753) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine
PubChem CID57146753
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine
SMILESCC(CNCc1ccccc1)Oc1ccc2ccccc2c1CN(C)C
InChIInChI=1S/C23H28N2O/c1-18(15-24-16-19-9-5-4-6-10-19)26-23-14-13-20-11-7-8-12-21(20)22(23)17-25(2)3/h4-14,18,24H,15-17H2,1-3H3
InChIKeyHTYKQWBJHIUPJI-UHFFFAOYSA-N
XLogP4.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848695
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine
CID 54804530
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]ethanamine
CID 43505535
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
N-benzyl-2-methoxypropan-1-amine
CID 58887986
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine
CID 55077307
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
(1R)-N'-[(2-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 30956200
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849945
N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide
CID 123528234

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine?
The IUPAC name of N-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine (CID 57146753) is N-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine.
What is the SMILES notation for N-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine?
The canonical SMILES for N-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine is CC(CNCc1ccccc1)Oc1ccc2ccccc2c1CN(C)C.
What is the InChIKey of N-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine?
The InChIKey is HTYKQWBJHIUPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-18(15-24-16-19-9-5-4-6-10-19)26-23-14-13-20-11-7-8-12-21(20)22(23)17-25(2)3/h4-14,18,24H,15-17H2,1-3H3.
What are the key properties of N-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine?
N-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine has a molecular weight of 348.49 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine is sourced from PubChem (CID 57146753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).