1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine

C13H18ClN — CID 22152368

IUPAC1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine
SMILESCNCC1(C)CCc2ccc(Cl)cc2C1
InChIInChI=1S/C13H18ClN/c1-13(9-15-2)6-5-10-3-4-12(14)7-11(10)8-13/h3-4,7,15H,5-6,8-9H2,1-2H3
InChIKeyMNTAXLZSXALEJK-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.05
Rot. Bonds2

About 1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine

1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine (PubChem CID 22152368) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine
PubChem CID22152368
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine
SMILESCNCC1(C)CCc2ccc(Cl)cc2C1
InChIInChI=1S/C13H18ClN/c1-13(9-15-2)6-5-10-3-4-12(14)7-11(10)8-13/h3-4,7,15H,5-6,8-9H2,1-2H3
InChIKeyMNTAXLZSXALEJK-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine (CID 22152368) is 1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine is CNCC1(C)CCc2ccc(Cl)cc2C1.
What is the InChIKey of 1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine?
The InChIKey is MNTAXLZSXALEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-13(9-15-2)6-5-10-3-4-12(14)7-11(10)8-13/h3-4,7,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine?
1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine has a molecular weight of 223.75 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 22152368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).