N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine

C21H23NO — CID 2182565

IUPACN-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
SMILESCN(CCCOc1cccc2ccccc12)Cc1ccccc1
InChIInChI=1S/C21H23NO/c1-22(17-18-9-3-2-4-10-18)15-8-16-23-21-14-7-12-19-11-5-6-13-20(19)21/h2-7,9-14H,8,15-17H2,1H3
InChIKeyVKXTUQXJIKNMPE-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.74
Rot. Bonds7

About N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine

N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine (PubChem CID 2182565) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
PubChem CID2182565
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC NameN-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
SMILESCN(CCCOc1cccc2ccccc12)Cc1ccccc1
InChIInChI=1S/C21H23NO/c1-22(17-18-9-3-2-4-10-18)15-8-16-23-21-14-7-12-19-11-5-6-13-20(19)21/h2-7,9-14H,8,15-17H2,1H3
InChIKeyVKXTUQXJIKNMPE-UHFFFAOYSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[benzyl(methyl)amino]propoxy]benzonitrile
CID 43288640
3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one
CID 71508422
N-methylmethanamine;1-(3-phenylpropoxy)naphthalene
CID 142048688
2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride
CID 119912986
N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
CID 2182253
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
1-butoxynaphthalene
CID 13262700
bis[3-[benzyl(methyl)amino]propyl] carbonate
CID 18944362
(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(4-naphthalen-1-yloxybutyl)butanediamide
CID 11532494
N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
CID 2182334
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine
CID 68911327

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine?
The IUPAC name of N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine (CID 2182565) is N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine?
The canonical SMILES for N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine is CN(CCCOc1cccc2ccccc12)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine?
The InChIKey is VKXTUQXJIKNMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-22(17-18-9-3-2-4-10-18)15-8-16-23-21-14-7-12-19-11-5-6-13-20(19)21/h2-7,9-14H,8,15-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine?
N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine has a molecular weight of 305.42 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine is sourced from PubChem (CID 2182565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).