(1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine

C13H18FN — CID 173049230

IUPAC(1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)[C@H](NC(C)F)[C@@H](C)C2
InChIInChI=1S/C13H18FN/c1-8-4-5-11-7-9(2)13(12(11)6-8)15-10(3)14/h4-6,9-10,13,15H,7H2,1-3H3/t9-,10?,13+/m0/s1
InChIKeyRUZXKYXXRMHEAY-BOURZNODSA-N
MW207.29 g/mol
LogP3.13
Rot. Bonds2

About (1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine

(1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 173049230) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID173049230
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)[C@H](NC(C)F)[C@@H](C)C2
InChIInChI=1S/C13H18FN/c1-8-4-5-11-7-9(2)13(12(11)6-8)15-10(3)14/h4-6,9-10,13,15H,7H2,1-3H3/t9-,10?,13+/m0/s1
InChIKeyRUZXKYXXRMHEAY-BOURZNODSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103949520
(1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 101384665
N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide
CID 99782343
(1R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 130738908
4-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 120552413
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 110024645
2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluorobutyl)-1,3,5-triazine-2,4-diamine
CID 58590413
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2-pyridin-4-ylethyl)urea
CID 110024699
1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 110010370
N,2,7-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83907256
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110024695
N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-5-[(E)-N-(4-fluorophenoxy)-C-methylcarbonimidoyl]pyrimidin-2-amine
CID 129283780

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine (CID 173049230) is (1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)[C@H](NC(C)F)[C@@H](C)C2.
What is the InChIKey of (1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RUZXKYXXRMHEAY-BOURZNODSA-N. The full InChI is InChI=1S/C13H18FN/c1-8-4-5-11-7-9(2)13(12(11)6-8)15-10(3)14/h4-6,9-10,13,15H,7H2,1-3H3/t9-,10?,13+/m0/s1.
What are the key properties of (1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
(1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 173049230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).