N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine

C15H19ClN2 — CID 117171695

IUPACN-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine
SMILESCC(C)n1cc(CNC2CC2)c2c(Cl)cccc21
InChIInChI=1S/C15H19ClN2/c1-10(2)18-9-11(8-17-12-6-7-12)15-13(16)4-3-5-14(15)18/h3-5,9-10,12,17H,6-8H2,1-2H3
InChIKeyZHMVGWWAPGNKKA-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.13
Rot. Bonds4

About N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine

N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine (PubChem CID 117171695) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine
PubChem CID117171695
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC NameN-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine
SMILESCC(C)n1cc(CNC2CC2)c2c(Cl)cccc21
InChIInChI=1S/C15H19ClN2/c1-10(2)18-9-11(8-17-12-6-7-12)15-13(16)4-3-5-14(15)18/h3-5,9-10,12,17H,6-8H2,1-2H3
InChIKeyZHMVGWWAPGNKKA-UHFFFAOYSA-N
XLogP4.13
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine (CID 117171695) is N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine is CC(C)n1cc(CNC2CC2)c2c(Cl)cccc21.
What is the InChIKey of N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine?
The InChIKey is ZHMVGWWAPGNKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-10(2)18-9-11(8-17-12-6-7-12)15-13(16)4-3-5-14(15)18/h3-5,9-10,12,17H,6-8H2,1-2H3.
What are the key properties of N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine?
N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine has a molecular weight of 262.78 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 117171695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).