4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine

C15H21ClN2O — CID 63879552

IUPAC4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN2O/c1-19-11-8-17-7-2-3-9-18-10-6-13-12-14(16)4-5-15(13)18/h4-6,10,12,17H,2-3,7-9,11H2,1H3
InChIKeyJBLWFBTZXVSPKU-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.31
Rot. Bonds8

About 4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine

4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 63879552) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
PubChem CID63879552
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN2O/c1-19-11-8-17-7-2-3-9-18-10-6-13-12-14(16)4-5-15(13)18/h4-6,10,12,17H,2-3,7-9,11H2,1H3
InChIKeyJBLWFBTZXVSPKU-UHFFFAOYSA-N
XLogP3.31
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.31
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

3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 63850949
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
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 63879551
N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55256324
6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725
1-[4-(4-chlorophenoxy)butyl]-5-methoxyindole
CID 110831449
5-chloro-1-(2-propan-2-yloxyethyl)indole
CID 116623109
N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine
CID 55258997
4-(5-fluoroindol-1-yl)-N-propylbutan-1-amine
CID 63852511
5-chloro-1-(3-ethylsulfonylpropyl)indole
CID 116623147

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine (CID 63879552) is 4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCn1ccc2cc(Cl)ccc21.
What is the InChIKey of 4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is JBLWFBTZXVSPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-19-11-8-17-7-2-3-9-18-10-6-13-12-14(16)4-5-15(13)18/h4-6,10,12,17H,2-3,7-9,11H2,1H3.
What are the key properties of 4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine?
4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 280.80 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 63879552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).