5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline

C15H23ClN2O — CID 114851430

IUPAC5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
SMILESCNCc1ccc(Cl)cc1N(C)CC1CCCOC1
InChIInChI=1S/C15H23ClN2O/c1-17-9-13-5-6-14(16)8-15(13)18(2)10-12-4-3-7-19-11-12/h5-6,8,12,17H,3-4,7,9-11H2,1-2H3
InChIKeyLRUMJCJEZWCENI-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.92
Rot. Bonds5

About 5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline

5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline (PubChem CID 114851430) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline.

Molecular Properties

Compound Name5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
PubChem CID114851430
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
SMILESCNCc1ccc(Cl)cc1N(C)CC1CCCOC1
InChIInChI=1S/C15H23ClN2O/c1-17-9-13-5-6-14(16)8-15(13)18(2)10-12-4-3-7-19-11-12/h5-6,8,12,17H,3-4,7,9-11H2,1-2H3
InChIKeyLRUMJCJEZWCENI-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[methyl(oxan-3-ylmethyl)amino]benzonitrile
CID 55226842
4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 63713648
5-bromo-2-(chloromethyl)-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63712784
5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
CID 114847884
2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopentylmethyl)-N-methylaniline
CID 114851335
2-(bromomethyl)-5-chloro-N-(cyclobutylmethyl)-N-methylaniline
CID 107082881
5-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848953
2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63713314
[4-chloro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol
CID 114845647
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63708110
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine
CID 124548892
N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 114216347

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline?
The IUPAC name of 5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline (CID 114851430) is 5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline.
What is the SMILES notation for 5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline?
The canonical SMILES for 5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline is CNCc1ccc(Cl)cc1N(C)CC1CCCOC1.
What is the InChIKey of 5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline?
The InChIKey is LRUMJCJEZWCENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-17-9-13-5-6-14(16)8-15(13)18(2)10-12-4-3-7-19-11-12/h5-6,8,12,17H,3-4,7,9-11H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline?
5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline has a molecular weight of 282.81 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline is sourced from PubChem (CID 114851430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).