2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine

C17H23N — CID 64663925

IUPAC2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H23N/c1-3-10-18-13-14(2)11-15-8-9-16-6-4-5-7-17(16)12-15/h4-9,12,14,18H,3,10-11,13H2,1-2H3
InChIKeyRXTMDEZBEYINBI-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.02
Rot. Bonds6

About 2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine

2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine (PubChem CID 64663925) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine
PubChem CID64663925
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H23N/c1-3-10-18-13-14(2)11-15-8-9-16-6-4-5-7-17(16)12-15/h4-9,12,14,18H,3,10-11,13H2,1-2H3
InChIKeyRXTMDEZBEYINBI-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
2-naphthalen-2-yloxy-N-propylpropan-1-amine
CID 42630142
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylpropan-1-amine
CID 64664347
3-(4-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 64664768
N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine
CID 82262424
2-(2-propan-2-ylpentyl)naphthalene
CID 173217624
3-methyl-1-naphthalen-2-ylhexan-2-amine
CID 61080295
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine
CID 22955490
2-(2-chlorobutyl)naphthalene
CID 21490588
1-naphthalen-2-yl-N-propylhex-5-yn-2-amine
CID 105149229
2-methyl-4-(4-methylphenyl)-N-propylbutan-1-amine
CID 64664775

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine?
The IUPAC name of 2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine (CID 64663925) is 2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine?
The canonical SMILES for 2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine is CCCNCC(C)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine?
The InChIKey is RXTMDEZBEYINBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-3-10-18-13-14(2)11-15-8-9-16-6-4-5-7-17(16)12-15/h4-9,12,14,18H,3,10-11,13H2,1-2H3.
What are the key properties of 2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine?
2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine is sourced from PubChem (CID 64663925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).