(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine

C12H17ClN2 — CID 117200097

IUPAC(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
SMILESCC(C)N1CC(CN)c2c(Cl)cccc21
InChIInChI=1S/C12H17ClN2/c1-8(2)15-7-9(6-14)12-10(13)4-3-5-11(12)15/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyIEDIPFKXYNBRAN-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.61
Rot. Bonds2

About (4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine

(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine (PubChem CID 117200097) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is (4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
PubChem CID117200097
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
SMILESCC(C)N1CC(CN)c2c(Cl)cccc21
InChIInChI=1S/C12H17ClN2/c1-8(2)15-7-9(6-14)12-10(13)4-3-5-11(12)15/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyIEDIPFKXYNBRAN-UHFFFAOYSA-N
XLogP2.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83868804
2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid
CID 117199630
(5-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861221
3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117200144
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117200137
(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861224
3-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200014
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200175
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202274
1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol
CID 117200061
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117199896

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine?
The IUPAC name of (4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine (CID 117200097) is (4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine.
What is the SMILES notation for (4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine?
The canonical SMILES for (4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine is CC(C)N1CC(CN)c2c(Cl)cccc21.
What is the InChIKey of (4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine?
The InChIKey is IEDIPFKXYNBRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8(2)15-7-9(6-14)12-10(13)4-3-5-11(12)15/h3-5,8-9H,6-7,14H2,1-2H3.
What are the key properties of (4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine?
(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine has a molecular weight of 224.73 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine is sourced from PubChem (CID 117200097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).