1-chloro-N-methyl-1-naphthalen-2-ylmethanamine

C12H12ClN — CID 116962174

IUPAC1-chloro-N-methyl-1-naphthalen-2-ylmethanamine
SMILESCNC(Cl)c1ccc2ccccc2c1
InChIInChI=1S/C12H12ClN/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12,14H,1H3
InChIKeyZFCBDEYMPKXUNC-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.30
Rot. Bonds2

About 1-chloro-N-methyl-1-naphthalen-2-ylmethanamine

1-chloro-N-methyl-1-naphthalen-2-ylmethanamine (PubChem CID 116962174) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 1-chloro-N-methyl-1-naphthalen-2-ylmethanamine.

Molecular Properties

Compound Name1-chloro-N-methyl-1-naphthalen-2-ylmethanamine
PubChem CID116962174
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name1-chloro-N-methyl-1-naphthalen-2-ylmethanamine
SMILESCNC(Cl)c1ccc2ccccc2c1
InChIInChI=1S/C12H12ClN/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12,14H,1H3
InChIKeyZFCBDEYMPKXUNC-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 43486537
1-(2-chlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62716429
ethane;2-propan-2-ylnaphthalene
CID 142226111
3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol
CID 116957742
2-propan-2-ylpentacene
CID 153380535
(2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68762237
1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106691917
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
2-(4-chloropentan-2-yl)naphthalene
CID 64719465
1-(2,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 63502238
3-(methylamino)-3-naphthalen-2-ylpropanenitrile
CID 116955229
1-naphthalen-2-ylethanethiol
CID 11672816

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-1-naphthalen-2-ylmethanamine?
The IUPAC name of 1-chloro-N-methyl-1-naphthalen-2-ylmethanamine (CID 116962174) is 1-chloro-N-methyl-1-naphthalen-2-ylmethanamine.
What is the SMILES notation for 1-chloro-N-methyl-1-naphthalen-2-ylmethanamine?
The canonical SMILES for 1-chloro-N-methyl-1-naphthalen-2-ylmethanamine is CNC(Cl)c1ccc2ccccc2c1.
What is the InChIKey of 1-chloro-N-methyl-1-naphthalen-2-ylmethanamine?
The InChIKey is ZFCBDEYMPKXUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12,14H,1H3.
What are the key properties of 1-chloro-N-methyl-1-naphthalen-2-ylmethanamine?
1-chloro-N-methyl-1-naphthalen-2-ylmethanamine has a molecular weight of 205.69 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-1-naphthalen-2-ylmethanamine is sourced from PubChem (CID 116962174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).