(3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole

C13H19N — CID 95430864

IUPAC(3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole
SMILESCCc1cccc2c1NC[C@@H]2C(C)C
InChIInChI=1S/C13H19N/c1-4-10-6-5-7-11-12(9(2)3)8-14-13(10)11/h5-7,9,12,14H,4,8H2,1-3H3/t12-/m1/s1
InChIKeyBQPOGHNEGNGLJP-GFCCVEGCSA-N
MW189.30 g/mol
LogP3.41
Rot. Bonds2

About (3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole

(3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole (PubChem CID 95430864) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole
PubChem CID95430864
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole
SMILESCCc1cccc2c1NC[C@@H]2C(C)C
InChIInChI=1S/C13H19N/c1-4-10-6-5-7-11-12(9(2)3)8-14-13(10)11/h5-7,9,12,14H,4,8H2,1-3H3/t12-/m1/s1
InChIKeyBQPOGHNEGNGLJP-GFCCVEGCSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol
CID 117204028
4-(8-ethyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275773
7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole
CID 106985918
(8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 82276255
3-(7-methyl-2,3-dihydro-1H-indol-3-yl)butanoic acid
CID 83860344
7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole
CID 118511571
3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid
CID 83860347
O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine
CID 117204086
2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol
CID 83860422
3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
CID 84668692
7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706366
7-chloro-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84671899

Frequently Asked Questions

What is the IUPAC name of (3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of (3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole (CID 95430864) is (3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for (3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for (3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole is CCc1cccc2c1NC[C@@H]2C(C)C.
What is the InChIKey of (3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is BQPOGHNEGNGLJP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N/c1-4-10-6-5-7-11-12(9(2)3)8-14-13(10)11/h5-7,9,12,14H,4,8H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole?
(3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 189.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 95430864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).