N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine

C14H20ClN3 — CID 55256324

IUPACN-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C14H20ClN3/c1-17(2)9-6-16-7-10-18-8-5-12-11-13(15)3-4-14(12)18/h3-5,8,11,16H,6-7,9-10H2,1-2H3
InChIKeyNTSZOIKBINPLKW-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine

N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 55256324) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID55256324
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC NameN-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C14H20ClN3/c1-17(2)9-6-16-7-10-18-8-5-12-11-13(15)3-4-14(12)18/h3-5,8,11,16H,6-7,9-10H2,1-2H3
InChIKeyNTSZOIKBINPLKW-UHFFFAOYSA-N
XLogP2.45
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chloroindol-1-yl)ethyl]hexan-1-amine
CID 63879376
N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63879375
1-[2-(aziridin-1-yl)ethyl]-5-chloroindole
CID 154694205
N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 63879905
4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 63879552
N-[2-(5-bromoindol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 62562872
N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 63879551
2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 63879209
N-[2-(5-chloroindol-1-yl)ethyl]but-2-ynamide
CID 146075811
1-but-3-enyl-5-chloroindole
CID 84573302
2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine
CID 90244443
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine (CID 55256324) is N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCCn1ccc2cc(Cl)ccc21.
What is the InChIKey of N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is NTSZOIKBINPLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-17(2)9-6-16-7-10-18-8-5-12-11-13(15)3-4-14(12)18/h3-5,8,11,16H,6-7,9-10H2,1-2H3.
What are the key properties of N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 265.79 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 55256324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).