(7-chloro-3,4-dihydronaphthalen-1-yl)methanamine

C11H12ClN — CID 82277158

IUPAC(7-chloro-3,4-dihydronaphthalen-1-yl)methanamine
SMILESNCC1=CCCc2ccc(Cl)cc21
InChIInChI=1S/C11H12ClN/c12-10-5-4-8-2-1-3-9(7-13)11(8)6-10/h3-6H,1-2,7,13H2
InChIKeySGXPKSJNZURJJP-UHFFFAOYSA-N
MW193.68 g/mol
LogP2.63
Rot. Bonds1

About (7-chloro-3,4-dihydronaphthalen-1-yl)methanamine

(7-chloro-3,4-dihydronaphthalen-1-yl)methanamine (PubChem CID 82277158) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is (7-chloro-3,4-dihydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-3,4-dihydronaphthalen-1-yl)methanamine
PubChem CID82277158
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name(7-chloro-3,4-dihydronaphthalen-1-yl)methanamine
SMILESNCC1=CCCc2ccc(Cl)cc21
InChIInChI=1S/C11H12ClN/c12-10-5-4-8-2-1-3-9(7-13)11(8)6-10/h3-6H,1-2,7,13H2
InChIKeySGXPKSJNZURJJP-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-3,4-dihydronaphthalen-1-yl)methanamine?
The IUPAC name of (7-chloro-3,4-dihydronaphthalen-1-yl)methanamine (CID 82277158) is (7-chloro-3,4-dihydronaphthalen-1-yl)methanamine.
What is the SMILES notation for (7-chloro-3,4-dihydronaphthalen-1-yl)methanamine?
The canonical SMILES for (7-chloro-3,4-dihydronaphthalen-1-yl)methanamine is NCC1=CCCc2ccc(Cl)cc21.
What is the InChIKey of (7-chloro-3,4-dihydronaphthalen-1-yl)methanamine?
The InChIKey is SGXPKSJNZURJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c12-10-5-4-8-2-1-3-9(7-13)11(8)6-10/h3-6H,1-2,7,13H2.
What are the key properties of (7-chloro-3,4-dihydronaphthalen-1-yl)methanamine?
(7-chloro-3,4-dihydronaphthalen-1-yl)methanamine has a molecular weight of 193.68 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3,4-dihydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 82277158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).