N-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine

C15H19ClN2O — CID 63877665

IUPACN-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine
SMILESClc1ccc2c(ccn2CCNC2CCOCC2)c1
InChIInChI=1S/C15H19ClN2O/c16-13-1-2-15-12(11-13)3-7-18(15)8-6-17-14-4-9-19-10-5-14/h1-3,7,11,14,17H,4-6,8-10H2
InChIKeyNPVHTECHAGOQJR-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.06
Rot. Bonds4

About N-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine

N-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine (PubChem CID 63877665) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine
PubChem CID63877665
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine
SMILESClc1ccc2c(ccn2CCNC2CCOCC2)c1
InChIInChI=1S/C15H19ClN2O/c16-13-1-2-15-12(11-13)3-7-18(15)8-6-17-14-4-9-19-10-5-14/h1-3,7,11,14,17H,4-6,8-10H2
InChIKeyNPVHTECHAGOQJR-UHFFFAOYSA-N
XLogP3.06
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine
CID 63852335
N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine
CID 55258997
N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine
CID 63879211
2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 63879209
N-[2-(5-methylindol-1-yl)ethyl]cyclopropanamine
CID 63556204
N-[2-(5-fluoroindol-1-yl)ethyl]cyclohexanamine
CID 55256214
1-[2-(aziridin-1-yl)ethyl]-5-chloroindole
CID 154694205
N-(2-indol-1-ylethyl)cyclopropanamine
CID 62562475
N-[2-(6-chloroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 62563402
N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55256324
N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine
CID 175826876
N-[2-(5-chloroindol-1-yl)ethyl]hexan-1-amine
CID 63879376

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine (CID 63877665) is N-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine is Clc1ccc2c(ccn2CCNC2CCOCC2)c1.
What is the InChIKey of N-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine?
The InChIKey is NPVHTECHAGOQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-13-1-2-15-12(11-13)3-7-18(15)8-6-17-14-4-9-19-10-5-14/h1-3,7,11,14,17H,4-6,8-10H2.
What are the key properties of N-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine?
N-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine has a molecular weight of 278.78 g/mol, XLogP of 3.06, 4 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]oxan-4-amine is sourced from PubChem (CID 63877665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).