2-chloro-1-naphthalen-1-ylethanamine

C12H12ClN — CID 116937640

IUPAC2-chloro-1-naphthalen-1-ylethanamine
SMILESNC(CCl)c1cccc2ccccc12
InChIInChI=1S/C12H12ClN/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,14H2
InChIKeyITEKVZIEPPUSLZ-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.08
Rot. Bonds2

About 2-chloro-1-naphthalen-1-ylethanamine

2-chloro-1-naphthalen-1-ylethanamine (PubChem CID 116937640) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 2-chloro-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-chloro-1-naphthalen-1-ylethanamine
PubChem CID116937640
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name2-chloro-1-naphthalen-1-ylethanamine
SMILESNC(CCl)c1cccc2ccccc12
InChIInChI=1S/C12H12ClN/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,14H2
InChIKeyITEKVZIEPPUSLZ-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
(3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium
CID 88609613
2,2,2-trichloro-1-naphthalen-1-ylethanamine
CID 101218530
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
CID 57188438
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
CID 171212052
2-benzylsulfanyl-1-naphthalen-1-ylethanamine
CID 64619248
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-chloro-1-naphthalen-1-ylethanamine (CID 116937640) is 2-chloro-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-chloro-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-chloro-1-naphthalen-1-ylethanamine is NC(CCl)c1cccc2ccccc12.
What is the InChIKey of 2-chloro-1-naphthalen-1-ylethanamine?
The InChIKey is ITEKVZIEPPUSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,14H2.
What are the key properties of 2-chloro-1-naphthalen-1-ylethanamine?
2-chloro-1-naphthalen-1-ylethanamine has a molecular weight of 205.69 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 116937640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).