N-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine

C19H18N2O2 — CID 782158

IUPACN-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine
SMILESCN(Cc1cccc([N+](=O)[O-])c1)Cc1cccc2ccccc12
InChIInChI=1S/C19H18N2O2/c1-20(13-15-6-4-10-18(12-15)21(22)23)14-17-9-5-8-16-7-2-3-11-19(16)17/h2-12H,13-14H2,1H3
InChIKeyJNQVZCOEIGDXQX-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.38
Rot. Bonds5

About N-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine

N-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine (PubChem CID 782158) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine
PubChem CID782158
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine
SMILESCN(Cc1cccc([N+](=O)[O-])c1)Cc1cccc2ccccc12
InChIInChI=1S/C19H18N2O2/c1-20(13-15-6-4-10-18(12-15)21(22)23)14-17-9-5-8-16-7-2-3-11-19(16)17/h2-12H,13-14H2,1H3
InChIKeyJNQVZCOEIGDXQX-UHFFFAOYSA-N
XLogP4.38
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Nitropyrene
CID 13090
2-Nitroanthracene
CID 19168
2-Nitrophenanthrene
CID 28206
1-Nitrophenanthrene
CID 50202
3-Nitrophenanthrene
CID 97240
5-Methyl-1-nitronaphthalene
CID 93496
1-[(3-Nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 947372
1-((3-Nitrophenyl)methyl)-4-(phenylmethyl)piperidine
CID 1377160
AG-690/11820303
CID 2850828
1-[(4-nitrophenyl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 9514475
4-[[4-(diethylamino)phenyl]-(4-nitrophenyl)methyl]-N,N-diethylaniline
CID 20027096
1-Methyl-4-[2-[4-(4-naphthalen-1-ylbutyl)piperazin-1-yl]-1-(4-nitrophenyl)ethyl]piperazine
CID 22318671

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine?
The IUPAC name of N-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine (CID 782158) is N-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine.
What is the SMILES notation for N-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine?
The canonical SMILES for N-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine is CN(Cc1cccc([N+](=O)[O-])c1)Cc1cccc2ccccc12.
What is the InChIKey of N-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine?
The InChIKey is JNQVZCOEIGDXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-20(13-15-6-4-10-18(12-15)21(22)23)14-17-9-5-8-16-7-2-3-11-19(16)17/h2-12H,13-14H2,1H3.
What are the key properties of N-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine?
N-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine has a molecular weight of 306.37 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-1-ylmethyl)-1-(3-nitrophenyl)methanamine is sourced from PubChem (CID 782158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).