2,6-dichloro-N-(oxan-3-ylmethyl)aniline

C12H15Cl2NO — CID 65469527

IUPAC2,6-dichloro-N-(oxan-3-ylmethyl)aniline
SMILESClc1cccc(Cl)c1NCC1CCCOC1
InChIInChI=1S/C12H15Cl2NO/c13-10-4-1-5-11(14)12(10)15-7-9-3-2-6-16-8-9/h1,4-5,9,15H,2-3,6-8H2
InChIKeyGUMPLMMEJRCYFX-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.83
Rot. Bonds3

About 2,6-dichloro-N-(oxan-3-ylmethyl)aniline

2,6-dichloro-N-(oxan-3-ylmethyl)aniline (PubChem CID 65469527) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2,6-dichloro-N-(oxan-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(oxan-3-ylmethyl)aniline
PubChem CID65469527
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2,6-dichloro-N-(oxan-3-ylmethyl)aniline
SMILESClc1cccc(Cl)c1NCC1CCCOC1
InChIInChI=1S/C12H15Cl2NO/c13-10-4-1-5-11(14)12(10)15-7-9-3-2-6-16-8-9/h1,4-5,9,15H,2-3,6-8H2
InChIKeyGUMPLMMEJRCYFX-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 61020967
2,6-dichloro-N-(cyclopropylmethyl)aniline
CID 13174436
5-bromo-2-chloro-N-(oxan-3-ylmethyl)aniline
CID 63740223
2-chloro-6-methyl-N-(oxan-4-ylmethyl)aniline
CID 66253970
2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 106890339
(1S)-1-(2-chlorophenyl)-N-[[(3R)-oxan-3-yl]methyl]ethanamine
CID 93447506
6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63960908
3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 102750873
2-chloro-5-(oxan-3-ylmethylamino)benzonitrile
CID 63737537
2-chloro-4-(oxan-3-ylmethylamino)benzonitrile
CID 62945030
6-chloro-N-(oxan-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 63739309
5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one
CID 114434443

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(oxan-3-ylmethyl)aniline?
The IUPAC name of 2,6-dichloro-N-(oxan-3-ylmethyl)aniline (CID 65469527) is 2,6-dichloro-N-(oxan-3-ylmethyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(oxan-3-ylmethyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(oxan-3-ylmethyl)aniline is Clc1cccc(Cl)c1NCC1CCCOC1.
What is the InChIKey of 2,6-dichloro-N-(oxan-3-ylmethyl)aniline?
The InChIKey is GUMPLMMEJRCYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-4-1-5-11(14)12(10)15-7-9-3-2-6-16-8-9/h1,4-5,9,15H,2-3,6-8H2.
What are the key properties of 2,6-dichloro-N-(oxan-3-ylmethyl)aniline?
2,6-dichloro-N-(oxan-3-ylmethyl)aniline has a molecular weight of 260.16 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(oxan-3-ylmethyl)aniline is sourced from PubChem (CID 65469527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).