(1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine

C11H15FN2 — CID 55275890

IUPAC(1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
SMILESCc1c(N)cc2c(c1F)CCC[C@H]2N
InChIInChI=1S/C11H15FN2/c1-6-10(14)5-8-7(11(6)12)3-2-4-9(8)13/h5,9H,2-4,13-14H2,1H3/t9-/m1/s1
InChIKeyFTCWDLZLASDDJE-SECBINFHSA-N
MW194.25 g/mol
LogP2.05
Rot. Bonds

About (1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine

(1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine (PubChem CID 55275890) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is (1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine.

Molecular Properties

Compound Name(1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
PubChem CID55275890
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
SMILESCc1c(N)cc2c(c1F)CCC[C@H]2N
InChIInChI=1S/C11H15FN2/c1-6-10(14)5-8-7(11(6)12)3-2-4-9(8)13/h5,9H,2-4,13-14H2,1H3/t9-/m1/s1
InChIKeyFTCWDLZLASDDJE-SECBINFHSA-N
XLogP2.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The IUPAC name of (1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine (CID 55275890) is (1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine.
What is the SMILES notation for (1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The canonical SMILES for (1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine is Cc1c(N)cc2c(c1F)CCC[C@H]2N.
What is the InChIKey of (1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The InChIKey is FTCWDLZLASDDJE-SECBINFHSA-N. The full InChI is InChI=1S/C11H15FN2/c1-6-10(14)5-8-7(11(6)12)3-2-4-9(8)13/h5,9H,2-4,13-14H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
(1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine has a molecular weight of 194.25 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine is sourced from PubChem (CID 55275890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).