N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine

C13H14Cl2N2 — CID 65335148

IUPACN-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine
SMILESCc1[nH]c2c(Cl)cc(Cl)cc2c1CNC1CC1
InChIInChI=1S/C13H14Cl2N2/c1-7-11(6-16-9-2-3-9)10-4-8(14)5-12(15)13(10)17-7/h4-5,9,16-17H,2-3,6H2,1H3
InChIKeyPGJZIVHQPKWIHO-UHFFFAOYSA-N
MW269.17 g/mol
LogP4.04
Rot. Bonds3

About N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine

N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine (PubChem CID 65335148) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.17 g/mol. Its IUPAC name is N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine
PubChem CID65335148
Molecular FormulaC13H14Cl2N2
Molecular Weight269.17 g/mol
Exact Mass268.05
IUPAC NameN-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine
SMILESCc1[nH]c2c(Cl)cc(Cl)cc2c1CNC1CC1
InChIInChI=1S/C13H14Cl2N2/c1-7-11(6-16-9-2-3-9)10-4-8(14)5-12(15)13(10)17-7/h4-5,9,16-17H,2-3,6H2,1H3
InChIKeyPGJZIVHQPKWIHO-UHFFFAOYSA-N
XLogP4.04
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine
CID 113420784
N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine
CID 82449427
N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine
CID 82449372
6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65332641
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]cyclopropanamine
CID 43515859
N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350078
4-[(2-methyl-1H-indol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65054581
N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60790274
6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333191
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350055
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine (CID 65335148) is N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine is Cc1[nH]c2c(Cl)cc(Cl)cc2c1CNC1CC1.
What is the InChIKey of N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine?
The InChIKey is PGJZIVHQPKWIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-7-11(6-16-9-2-3-9)10-4-8(14)5-12(15)13(10)17-7/h4-5,9,16-17H,2-3,6H2,1H3.
What are the key properties of N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine?
N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine has a molecular weight of 269.17 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 65335148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).