(5-chloro-1-methylnaphthalen-2-yl)methanamine

C12H12ClN — CID 115057593

IUPAC(5-chloro-1-methylnaphthalen-2-yl)methanamine
SMILESCc1c(CN)ccc2c(Cl)cccc12
InChIInChI=1S/C12H12ClN/c1-8-9(7-14)5-6-11-10(8)3-2-4-12(11)13/h2-6H,7,14H2,1H3
InChIKeyHMEOPFBDZGVUFG-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.26
Rot. Bonds1

About (5-chloro-1-methylnaphthalen-2-yl)methanamine

(5-chloro-1-methylnaphthalen-2-yl)methanamine (PubChem CID 115057593) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is (5-chloro-1-methylnaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-1-methylnaphthalen-2-yl)methanamine
PubChem CID115057593
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name(5-chloro-1-methylnaphthalen-2-yl)methanamine
SMILESCc1c(CN)ccc2c(Cl)cccc12
InChIInChI=1S/C12H12ClN/c1-8-9(7-14)5-6-11-10(8)3-2-4-12(11)13/h2-6H,7,14H2,1H3
InChIKeyHMEOPFBDZGVUFG-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-fluoro-1-methylnaphthalen-2-yl)methanamine
CID 115057589
[3-(aminomethyl)-2-methylphenyl]methanol
CID 45091737
[3-chloro-2-(2-ethylbutoxy)phenyl]methanamine
CID 112607589
1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene
CID 173152274
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832
(3-chloro-4-fluoro-2-methylphenyl)methanamine
CID 84766568
(6-bromo-1-methylnaphthalen-2-yl)methanamine
CID 115057582
(7-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride
CID 155978335
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488
[5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine
CID 79597387
(7-chloro-2-methyl-1-benzofuran-3-yl)methanamine
CID 83907915

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methylnaphthalen-2-yl)methanamine?
The IUPAC name of (5-chloro-1-methylnaphthalen-2-yl)methanamine (CID 115057593) is (5-chloro-1-methylnaphthalen-2-yl)methanamine.
What is the SMILES notation for (5-chloro-1-methylnaphthalen-2-yl)methanamine?
The canonical SMILES for (5-chloro-1-methylnaphthalen-2-yl)methanamine is Cc1c(CN)ccc2c(Cl)cccc12.
What is the InChIKey of (5-chloro-1-methylnaphthalen-2-yl)methanamine?
The InChIKey is HMEOPFBDZGVUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c1-8-9(7-14)5-6-11-10(8)3-2-4-12(11)13/h2-6H,7,14H2,1H3.
What are the key properties of (5-chloro-1-methylnaphthalen-2-yl)methanamine?
(5-chloro-1-methylnaphthalen-2-yl)methanamine has a molecular weight of 205.69 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 115057593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).