5-chloro-3-methylnaphthalen-2-amine

C11H10ClN — CID 142250100

IUPAC5-chloro-3-methylnaphthalen-2-amine
SMILESCc1cc2c(Cl)cccc2cc1N
InChIInChI=1S/C11H10ClN/c1-7-5-9-8(6-11(7)13)3-2-4-10(9)12/h2-6H,13H2,1H3
InChIKeyDUOJWXFKFMVFOC-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.38
Rot. Bonds

About 5-chloro-3-methylnaphthalen-2-amine

5-chloro-3-methylnaphthalen-2-amine (PubChem CID 142250100) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 5-chloro-3-methylnaphthalen-2-amine.

Molecular Properties

Compound Name5-chloro-3-methylnaphthalen-2-amine
PubChem CID142250100
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name5-chloro-3-methylnaphthalen-2-amine
SMILESCc1cc2c(Cl)cccc2cc1N
InChIInChI=1S/C11H10ClN/c1-7-5-9-8(6-11(7)13)3-2-4-10(9)12/h2-6H,13H2,1H3
InChIKeyDUOJWXFKFMVFOC-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-3-methylnaphthalen-2-yl)phosphane
CID 70974446
5-chloro-3-methylnaphthalene-2-sulfonamide
CID 20773244
5-chloro-3-methylnaphthalene-2-carboxamide
CID 20773242
1-chloro-7-methyl-6-methylsulfonylnaphthalene
CID 20773091
1-chlorohexacene
CID 87838951
3-methyltetracen-2-amine
CID 154953105
10-chlorobenzo[b]triphenylene
CID 15449469
7-methyl-6-phosphanylnaphthalen-1-amine
CID 142187814
4-(2,6-dichlorophenyl)-2-methylaniline
CID 170906772
3-chloro-2-methylnaphthalene-1,8-diamine
CID 67715061
11-methyltriphenylene-2,3,6,7,10-pentamine
CID 126681989
2-(8-chloronaphthalen-2-yl)propan-2-amine
CID 105475106

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylnaphthalen-2-amine?
The IUPAC name of 5-chloro-3-methylnaphthalen-2-amine (CID 142250100) is 5-chloro-3-methylnaphthalen-2-amine.
What is the SMILES notation for 5-chloro-3-methylnaphthalen-2-amine?
The canonical SMILES for 5-chloro-3-methylnaphthalen-2-amine is Cc1cc2c(Cl)cccc2cc1N.
What is the InChIKey of 5-chloro-3-methylnaphthalen-2-amine?
The InChIKey is DUOJWXFKFMVFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c1-7-5-9-8(6-11(7)13)3-2-4-10(9)12/h2-6H,13H2,1H3.
What are the key properties of 5-chloro-3-methylnaphthalen-2-amine?
5-chloro-3-methylnaphthalen-2-amine has a molecular weight of 191.66 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylnaphthalen-2-amine is sourced from PubChem (CID 142250100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).