1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride

C15H17Cl3N2 — CID 76853791

IUPAC1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride
SMILESCl.Cl.NC1CN(Cc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C15H15ClN2.2ClH/c16-13-7-3-1-5-11(13)9-18-10-14(17)12-6-2-4-8-15(12)18;;/h1-8,14H,9-10,17H2;2*1H
InChIKeyJSZGIRGCGHGASZ-UHFFFAOYSA-N
MW331.67 g/mol
LogP4.20
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride

1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride (PubChem CID 76853791) has the molecular formula C15H17Cl3N2 and a molecular weight of 331.67 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride
PubChem CID76853791
Molecular FormulaC15H17Cl3N2
Molecular Weight331.67 g/mol
Exact Mass330.05
IUPAC Name1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride
SMILESCl.Cl.NC1CN(Cc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C15H15ClN2.2ClH/c16-13-7-3-1-5-11(13)9-18-10-14(17)12-6-2-4-8-15(12)18;;/h1-8,14H,9-10,17H2;2*1H
InChIKeyJSZGIRGCGHGASZ-UHFFFAOYSA-N
XLogP4.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.67
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115009653
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
1-benzyl-5-chloro-2,3-dihydroindol-3-amine
CID 45043255
1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline
CID 170156297
methyl (2S)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 8564692
1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336111
[3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 115009445
(3R)-1-methyl-2,3-dihydroindol-3-amine
CID 175654020
1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine
CID 102662647
(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol
CID 123223883
2-[1-[(2-bromophenyl)methyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80576160

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride (CID 76853791) is 1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride is Cl.Cl.NC1CN(Cc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride?
The InChIKey is JSZGIRGCGHGASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2.2ClH/c16-13-7-3-1-5-11(13)9-18-10-14(17)12-6-2-4-8-15(12)18;;/h1-8,14H,9-10,17H2;2*1H.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride?
1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride has a molecular weight of 331.67 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride is sourced from PubChem (CID 76853791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).