5-chloro-2-methylnaphthalene-1,8-diamine

C11H11ClN2 — CID 58461687

IUPAC5-chloro-2-methylnaphthalene-1,8-diamine
SMILESCc1ccc2c(Cl)ccc(N)c2c1N
InChIInChI=1S/C11H11ClN2/c1-6-2-3-7-8(12)4-5-9(13)10(7)11(6)14/h2-5H,13-14H2,1H3
InChIKeyNDQGEIXJDNRLEY-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.97
Rot. Bonds

About 5-chloro-2-methylnaphthalene-1,8-diamine

5-chloro-2-methylnaphthalene-1,8-diamine (PubChem CID 58461687) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 5-chloro-2-methylnaphthalene-1,8-diamine.

Molecular Properties

Compound Name5-chloro-2-methylnaphthalene-1,8-diamine
PubChem CID58461687
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name5-chloro-2-methylnaphthalene-1,8-diamine
SMILESCc1ccc2c(Cl)ccc(N)c2c1N
InChIInChI=1S/C11H11ClN2/c1-6-2-3-7-8(12)4-5-9(13)10(7)11(6)14/h2-5H,13-14H2,1H3
InChIKeyNDQGEIXJDNRLEY-UHFFFAOYSA-N
XLogP2.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-chloro-2,4-dimethylaniline
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6-chloro-2-methylquinolin-5-amine
CID 15571773
5-chloro-3-methylnaphthalen-2-amine
CID 142250100
4-chloro-3,7-dimethylquinolin-8-amine
CID 125425329
9,20-dichloro-6,23-dimethylhexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 101092978
5-chloro-8-methyl-2H-isoquinolin-1-one
CID 114517495
7-chloro-4-methyl-1,3-benzoxazol-2-amine
CID 82229807
4-methylnaphthalene-1,2,8-triamine
CID 57467784
2,3,6-trimethylaniline
CID 11958947
1,2,3,7-tetramethylindol-4-amine
CID 118600284

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylnaphthalene-1,8-diamine?
The IUPAC name of 5-chloro-2-methylnaphthalene-1,8-diamine (CID 58461687) is 5-chloro-2-methylnaphthalene-1,8-diamine.
What is the SMILES notation for 5-chloro-2-methylnaphthalene-1,8-diamine?
The canonical SMILES for 5-chloro-2-methylnaphthalene-1,8-diamine is Cc1ccc2c(Cl)ccc(N)c2c1N.
What is the InChIKey of 5-chloro-2-methylnaphthalene-1,8-diamine?
The InChIKey is NDQGEIXJDNRLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-6-2-3-7-8(12)4-5-9(13)10(7)11(6)14/h2-5H,13-14H2,1H3.
What are the key properties of 5-chloro-2-methylnaphthalene-1,8-diamine?
5-chloro-2-methylnaphthalene-1,8-diamine has a molecular weight of 206.68 g/mol, XLogP of 2.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylnaphthalene-1,8-diamine is sourced from PubChem (CID 58461687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).