(4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine

C10H12Cl2N2 — CID 83868753

IUPAC(4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine
SMILESCN1CC(CN)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C10H12Cl2N2/c1-14-5-6(4-13)10-8(12)2-7(11)3-9(10)14/h2-3,6H,4-5,13H2,1H3
InChIKeySKMGHSUVHDUPAF-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.49
Rot. Bonds1

About (4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine

(4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine (PubChem CID 83868753) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is (4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine.

Molecular Properties

Compound Name(4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine
PubChem CID83868753
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name(4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine
SMILESCN1CC(CN)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C10H12Cl2N2/c1-14-5-6(4-13)10-8(12)2-7(11)3-9(10)14/h2-3,6H,4-5,13H2,1H3
InChIKeySKMGHSUVHDUPAF-UHFFFAOYSA-N
XLogP2.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82626086
(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 117200097
(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine
CID 82277185
2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine
CID 82623727
2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid
CID 82626082
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117199896
[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine
CID 43126555
(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83868804
(5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine
CID 84629598
6-chloro-2-ethyl-4,8-dimethyl-2,3-dihydro-1H-quinoxaline
CID 84624811
3-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200014
4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117199940

Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine?
The IUPAC name of (4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine (CID 83868753) is (4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine.
What is the SMILES notation for (4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine?
The canonical SMILES for (4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine is CN1CC(CN)c2c(Cl)cc(Cl)cc21.
What is the InChIKey of (4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine?
The InChIKey is SKMGHSUVHDUPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c1-14-5-6(4-13)10-8(12)2-7(11)3-9(10)14/h2-3,6H,4-5,13H2,1H3.
What are the key properties of (4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine?
(4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine has a molecular weight of 231.13 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine is sourced from PubChem (CID 83868753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).