1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine

C12H14ClN — CID 105461389

IUPAC1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine
SMILESCNCC1=Cc2c(Cl)cccc2CC1
InChIInChI=1S/C12H14ClN/c1-14-8-9-5-6-10-3-2-4-12(13)11(10)7-9/h2-4,7,14H,5-6,8H2,1H3
InChIKeyDILIXERVXOMTOM-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.89
Rot. Bonds2

About 1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine

1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine (PubChem CID 105461389) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine
PubChem CID105461389
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine
SMILESCNCC1=Cc2c(Cl)cccc2CC1
InChIInChI=1S/C12H14ClN/c1-14-8-9-5-6-10-3-2-4-12(13)11(10)7-9/h2-4,7,14H,5-6,8H2,1H3
InChIKeyDILIXERVXOMTOM-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine (CID 105461389) is 1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine is CNCC1=Cc2c(Cl)cccc2CC1.
What is the InChIKey of 1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine?
The InChIKey is DILIXERVXOMTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-14-8-9-5-6-10-3-2-4-12(13)11(10)7-9/h2-4,7,14H,5-6,8H2,1H3.
What are the key properties of 1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine?
1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine has a molecular weight of 207.70 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105461389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).