(1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine

C10H13FN2 — CID 55274698

IUPAC(1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine
SMILESCc1c(N)cc2c(c1F)CC[C@H]2N
InChIInChI=1S/C10H13FN2/c1-5-9(13)4-7-6(10(5)11)2-3-8(7)12/h4,8H,2-3,12-13H2,1H3/t8-/m1/s1
InChIKeyQWILQKPJMBRLQF-MRVPVSSYSA-N
MW180.23 g/mol
LogP1.66
Rot. Bonds

About (1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine

(1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine (PubChem CID 55274698) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is (1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine.

Molecular Properties

Compound Name(1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine
PubChem CID55274698
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name(1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine
SMILESCc1c(N)cc2c(c1F)CC[C@H]2N
InChIInChI=1S/C10H13FN2/c1-5-9(13)4-7-6(10(5)11)2-3-8(7)12/h4,8H,2-3,12-13H2,1H3/t8-/m1/s1
InChIKeyQWILQKPJMBRLQF-MRVPVSSYSA-N
XLogP1.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-Trimethylaniline
CID 8717
Fluorene-2,9-diamine
CID 245101
5-Ethyl-2,4-dimethylaniline
CID 11958965
2,3-dihydro-1H-indene-1,6-diamine
CID 18356524
Diaminofluorene
CID 3040611
2,3,4,5-Tetramethylaniline
CID 12844893
Indan-2,5-diamine
CID 5210274
2,5-Dimethyl-4-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-phenylamine
CID 12115460
4,5-Dimethyl-2-(trifluoromethyl)aniline
CID 18997315
4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-amine
CID 22400284
6-fluoro-2,3-dihydro-1H-inden-5-amine
CID 22400292
2,5-Dimethyl-4-(trifluoromethyl)aniline
CID 54121847

Frequently Asked Questions

What is the IUPAC name of (1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine?
The IUPAC name of (1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine (CID 55274698) is (1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine.
What is the SMILES notation for (1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine?
The canonical SMILES for (1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine is Cc1c(N)cc2c(c1F)CC[C@H]2N.
What is the InChIKey of (1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine?
The InChIKey is QWILQKPJMBRLQF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-5-9(13)4-7-6(10(5)11)2-3-8(7)12/h4,8H,2-3,12-13H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine?
(1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine has a molecular weight of 180.23 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine is sourced from PubChem (CID 55274698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).