5-chloro-N-(oxan-4-yl)-1H-indol-7-amine

C13H15ClN2O — CID 141229128

IUPAC5-chloro-N-(oxan-4-yl)-1H-indol-7-amine
SMILESClc1cc(NC2CCOCC2)c2[nH]ccc2c1
InChIInChI=1S/C13H15ClN2O/c14-10-7-9-1-4-15-13(9)12(8-10)16-11-2-5-17-6-3-11/h1,4,7-8,11,15-16H,2-3,5-6H2
InChIKeyFPRAZXMQNHYWCE-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.41
Rot. Bonds2

About 5-chloro-N-(oxan-4-yl)-1H-indol-7-amine

5-chloro-N-(oxan-4-yl)-1H-indol-7-amine (PubChem CID 141229128) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-chloro-N-(oxan-4-yl)-1H-indol-7-amine.

Molecular Properties

Compound Name5-chloro-N-(oxan-4-yl)-1H-indol-7-amine
PubChem CID141229128
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name5-chloro-N-(oxan-4-yl)-1H-indol-7-amine
SMILESClc1cc(NC2CCOCC2)c2[nH]ccc2c1
InChIInChI=1S/C13H15ClN2O/c14-10-7-9-1-4-15-13(9)12(8-10)16-11-2-5-17-6-3-11/h1,4,7-8,11,15-16H,2-3,5-6H2
InChIKeyFPRAZXMQNHYWCE-UHFFFAOYSA-N
XLogP3.41
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)oxepan-4-amine
CID 65076765
N-cyclopentyl-1H-indol-7-amine
CID 141243074
N-(5-chloro-2-ethoxyphenyl)oxan-4-amine
CID 54865465
[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 121433329
1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone
CID 141340761
(3R)-1-[5-chloro-7-(oxan-4-ylamino)-1H-indole-2-carbonyl]pyrrolidine-3-carboxylic acid;[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 121452923
5-chloro-N-cyclopentyl-2-phenyl-1H-indol-7-amine
CID 25214710
5-chloro-2-(oxan-4-ylamino)benzenecarbothioamide
CID 55080277
4-chloro-2-(oxolan-3-ylamino)benzoic acid
CID 80716241
6-chloro-N-(1-methylpiperidin-4-yl)-1H-indol-4-amine
CID 130361840
4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62868886
N-(2-chlorophenyl)oxepan-4-amine
CID 65076772

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(oxan-4-yl)-1H-indol-7-amine?
The IUPAC name of 5-chloro-N-(oxan-4-yl)-1H-indol-7-amine (CID 141229128) is 5-chloro-N-(oxan-4-yl)-1H-indol-7-amine.
What is the SMILES notation for 5-chloro-N-(oxan-4-yl)-1H-indol-7-amine?
The canonical SMILES for 5-chloro-N-(oxan-4-yl)-1H-indol-7-amine is Clc1cc(NC2CCOCC2)c2[nH]ccc2c1.
What is the InChIKey of 5-chloro-N-(oxan-4-yl)-1H-indol-7-amine?
The InChIKey is FPRAZXMQNHYWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-10-7-9-1-4-15-13(9)12(8-10)16-11-2-5-17-6-3-11/h1,4,7-8,11,15-16H,2-3,5-6H2.
What are the key properties of 5-chloro-N-(oxan-4-yl)-1H-indol-7-amine?
5-chloro-N-(oxan-4-yl)-1H-indol-7-amine has a molecular weight of 250.73 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(oxan-4-yl)-1H-indol-7-amine is sourced from PubChem (CID 141229128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).