N-chloro-N-methyl-1-naphthalen-2-ylethanamine

C13H14ClN — CID 135010068

IUPACN-chloro-N-methyl-1-naphthalen-2-ylethanamine
SMILESCC(c1ccc2ccccc2c1)N(C)Cl
InChIInChI=1S/C13H14ClN/c1-10(15(2)14)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3
InChIKeyVHMBTDCMYZAION-UHFFFAOYSA-N
MW219.72 g/mol
LogP3.99
Rot. Bonds2

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

N-chloro-N-methyl-1-naphthalen-2-ylethanamine (PubChem CID 135010068) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is N-chloro-N-methyl-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound NameN-chloro-N-methyl-1-naphthalen-2-ylethanamine
PubChem CID135010068
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC NameN-chloro-N-methyl-1-naphthalen-2-ylethanamine
SMILESCC(c1ccc2ccccc2c1)N(C)Cl
InChIInChI=1S/C13H14ClN/c1-10(15(2)14)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3
InChIKeyVHMBTDCMYZAION-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(1-naphthalen-2-ylethyl)hydroxylamine
CID 134925805
ethane;2-propan-2-ylnaphthalene
CID 142226111
2-propan-2-ylpentacene
CID 153380535
(1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
CID 72701934
1-naphthalen-2-ylethanethiol
CID 11672816
1-naphthalen-2-ylethanamine
CID 3857145
dichloro(1-naphthalen-2-ylethyl)borane
CID 156905612
dimethylamino(naphthalen-2-yl)methanethiol
CID 116909499
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid
CID 65072356
[(1S)-1-naphthalen-2-ylethyl]azanium chloride
CID 155931519
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-methyl-1-naphthalen-2-ylethanamine?
The IUPAC name of N-chloro-N-methyl-1-naphthalen-2-ylethanamine (CID 135010068) is N-chloro-N-methyl-1-naphthalen-2-ylethanamine.
What is the SMILES notation for N-chloro-N-methyl-1-naphthalen-2-ylethanamine?
The canonical SMILES for N-chloro-N-methyl-1-naphthalen-2-ylethanamine is CC(c1ccc2ccccc2c1)N(C)Cl.
What is the InChIKey of N-chloro-N-methyl-1-naphthalen-2-ylethanamine?
The InChIKey is VHMBTDCMYZAION-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-10(15(2)14)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3.
What are the key properties of N-chloro-N-methyl-1-naphthalen-2-ylethanamine?
N-chloro-N-methyl-1-naphthalen-2-ylethanamine has a molecular weight of 219.72 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-methyl-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 135010068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).