(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole

C10H12ClN — CID 95430074

IUPAC(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole
SMILESC[C@@H]1c2cc(Cl)ccc2N[C@@H]1C
InChIInChI=1S/C10H12ClN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-7,12H,1-2H3/t6-,7+/m0/s1
InChIKeyVJKRICFDADRTNJ-NKWVEPMBSA-N
MW181.67 g/mol
LogP3.26
Rot. Bonds

About (2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole

(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole (PubChem CID 95430074) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is (2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole
PubChem CID95430074
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole
SMILESC[C@@H]1c2cc(Cl)ccc2N[C@@H]1C
InChIInChI=1S/C10H12ClN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-7,12H,1-2H3/t6-,7+/m0/s1
InChIKeyVJKRICFDADRTNJ-NKWVEPMBSA-N
XLogP3.26
TPSA12.03 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 170593238
(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole
CID 71486083
6-chloro-2,4-dimethyl-1,2,3,4-tetrahydroquinoline
CID 105449607
6-chloro-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline
CID 117193853
6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 83915776
2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
CID 84630649
(2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 21093001
(2S,3S)-4-[[(2R,3R)-2,3-dimethyl-2,3-dihydro-1H-indol-5-yl]methyl]-2,3-dimethyl-2,3-dihydro-1H-indole
CID 170020472
[(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid
CID 68921650
(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
CID 84625720
6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one
CID 166066797
4-(6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275927

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole?
The IUPAC name of (2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole (CID 95430074) is (2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole?
The canonical SMILES for (2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole is C[C@@H]1c2cc(Cl)ccc2N[C@@H]1C.
What is the InChIKey of (2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole?
The InChIKey is VJKRICFDADRTNJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H12ClN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-7,12H,1-2H3/t6-,7+/m0/s1.
What are the key properties of (2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole?
(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole has a molecular weight of 181.67 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 95430074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).