3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine

C14H21ClN2 — CID 117202274

IUPAC3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine
SMILESCC(C)N1CC(CCCN)c2cc(Cl)ccc21
InChIInChI=1S/C14H21ClN2/c1-10(2)17-9-11(4-3-7-16)13-8-12(15)5-6-14(13)17/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3
InChIKeyMAMBVYAAFFNNGW-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.39
Rot. Bonds4

About 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine

3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine (PubChem CID 117202274) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine
PubChem CID117202274
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine
SMILESCC(C)N1CC(CCCN)c2cc(Cl)ccc21
InChIInChI=1S/C14H21ClN2/c1-10(2)17-9-11(4-3-7-16)13-8-12(15)5-6-14(13)17/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3
InChIKeyMAMBVYAAFFNNGW-UHFFFAOYSA-N
XLogP3.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine?
The IUPAC name of 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine (CID 117202274) is 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine is CC(C)N1CC(CCCN)c2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine?
The InChIKey is MAMBVYAAFFNNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10(2)17-9-11(4-3-7-16)13-8-12(15)5-6-14(13)17/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3.
What are the key properties of 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine?
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine has a molecular weight of 252.79 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine is sourced from PubChem (CID 117202274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).