3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine

C12H13ClN2 — CID 139621311

IUPAC3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine
SMILESCN(C)c1cc(Cl)cc2cccc(N)c12
InChIInChI=1S/C12H13ClN2/c1-15(2)11-7-9(13)6-8-4-3-5-10(14)12(8)11/h3-7H,14H2,1-2H3
InChIKeyZJYOLXVZWCBZKQ-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.14
Rot. Bonds1

About 3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine

3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine (PubChem CID 139621311) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine.

Molecular Properties

Compound Name3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine
PubChem CID139621311
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine
SMILESCN(C)c1cc(Cl)cc2cccc(N)c12
InChIInChI=1S/C12H13ClN2/c1-15(2)11-7-9(13)6-8-4-3-5-10(14)12(8)11/h3-7H,14H2,1-2H3
InChIKeyZJYOLXVZWCBZKQ-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methylnaphthalene-1,8-diamine
CID 67715061
ethane;naphthalene-1,8-diamine
CID 90905453
9-anthracen-9-ylanthracen-1-amine
CID 139789956
6,8-dichloronaphthalen-1-ol
CID 150488355
8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate
CID 12694656
2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine
CID 115124390
8-amino-3-methylnaphthalen-1-ol
CID 18710111
9-methylanthracen-1-amine
CID 23131270
8-dimethylphosphanylnaphthalen-1-amine
CID 132564954
N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide
CID 107465613
4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 68785889
bis[2,6-bis(dimethylamino)phenyl]tin
CID 11282229

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine?
The IUPAC name of 3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine (CID 139621311) is 3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine.
What is the SMILES notation for 3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine?
The canonical SMILES for 3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine is CN(C)c1cc(Cl)cc2cccc(N)c12.
What is the InChIKey of 3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine?
The InChIKey is ZJYOLXVZWCBZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-15(2)11-7-9(13)6-8-4-3-5-10(14)12(8)11/h3-7H,14H2,1-2H3.
What are the key properties of 3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine?
3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine has a molecular weight of 220.70 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N,1-N-dimethylnaphthalene-1,8-diamine is sourced from PubChem (CID 139621311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).