1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine

C12H14ClN — CID 105461387

IUPAC1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine
SMILESCNCC1=Cc2cc(Cl)ccc2CC1
InChIInChI=1S/C12H14ClN/c1-14-8-9-2-3-10-4-5-12(13)7-11(10)6-9/h4-7,14H,2-3,8H2,1H3
InChIKeyFMPGHHNDRAITDA-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.89
Rot. Bonds2

About 1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine

1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine (PubChem CID 105461387) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine
PubChem CID105461387
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine
SMILESCNCC1=Cc2cc(Cl)ccc2CC1
InChIInChI=1S/C12H14ClN/c1-14-8-9-2-3-10-4-5-12(13)7-11(10)6-9/h4-7,14H,2-3,8H2,1H3
InChIKeyFMPGHHNDRAITDA-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

Analyze 1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine (CID 105461387) is 1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine is CNCC1=Cc2cc(Cl)ccc2CC1.
What is the InChIKey of 1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine?
The InChIKey is FMPGHHNDRAITDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-14-8-9-2-3-10-4-5-12(13)7-11(10)6-9/h4-7,14H,2-3,8H2,1H3.
What are the key properties of 1-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine?
1-(7-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-(7-chloro-3,4-dihydronaphthalen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105461387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).