3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine

C19H20N2 — CID 672263

IUPAC3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine
SMILESCN(C)Cc1c(N)cc2ccccc2c1-c1ccccc1
InChIInChI=1S/C19H20N2/c1-21(2)13-17-18(20)12-15-10-6-7-11-16(15)19(17)14-8-4-3-5-9-14/h3-12H,13,20H2,1-2H3
InChIKeyZWMCYCATSLLUIN-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.15
Rot. Bonds3

About 3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine

3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine (PubChem CID 672263) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine
PubChem CID672263
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine
SMILESCN(C)Cc1c(N)cc2ccccc2c1-c1ccccc1
InChIInChI=1S/C19H20N2/c1-21(2)13-17-18(20)12-15-10-6-7-11-16(15)19(17)14-8-4-3-5-9-14/h3-12H,13,20H2,1-2H3
InChIKeyZWMCYCATSLLUIN-UHFFFAOYSA-N
XLogP4.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine?
The IUPAC name of 3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine (CID 672263) is 3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine.
What is the SMILES notation for 3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine?
The canonical SMILES for 3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine is CN(C)Cc1c(N)cc2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine?
The InChIKey is ZWMCYCATSLLUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-21(2)13-17-18(20)12-15-10-6-7-11-16(15)19(17)14-8-4-3-5-9-14/h3-12H,13,20H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine?
3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine has a molecular weight of 276.38 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-4-phenylnaphthalen-2-amine is sourced from PubChem (CID 672263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).