(1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine

C10H12ClN — CID 40787225

IUPAC(1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@H]1CCCc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClN/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,10H,1-3,12H2/t10-/m0/s1
InChIKeyJKGNIZNLBBLURY-JTQLQIEISA-N
MW181.67 g/mol
LogP2.68
Rot. Bonds

About (1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 40787225) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is (1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID40787225
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name(1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@H]1CCCc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClN/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,10H,1-3,12H2/t10-/m0/s1
InChIKeyJKGNIZNLBBLURY-JTQLQIEISA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine (CID 40787225) is (1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine is N[C@H]1CCCc2ccc(Cl)cc21.
What is the InChIKey of (1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JKGNIZNLBBLURY-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12ClN/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,10H,1-3,12H2/t10-/m0/s1.
What are the key properties of (1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 181.67 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 40787225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).