5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C12H16ClN — CID 112716447

IUPAC5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2cccc(Cl)c2CCC1C
InChIInChI=1S/C12H16ClN/c1-8-6-7-9-10(12(8)14-2)4-3-5-11(9)13/h3-5,8,12,14H,6-7H2,1-2H3
InChIKeySURSWTWHXSNRSC-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.18
Rot. Bonds1

About 5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 112716447) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID112716447
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2cccc(Cl)c2CCC1C
InChIInChI=1S/C12H16ClN/c1-8-6-7-9-10(12(8)14-2)4-3-5-11(9)13/h3-5,8,12,14H,6-7H2,1-2H3
InChIKeySURSWTWHXSNRSC-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 112716447) is 5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2cccc(Cl)c2CCC1C.
What is the InChIKey of 5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is SURSWTWHXSNRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-8-6-7-9-10(12(8)14-2)4-3-5-11(9)13/h3-5,8,12,14H,6-7H2,1-2H3.
What are the key properties of 5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 209.72 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 112716447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).