5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline

C14H23ClN2O — CID 114850215

IUPAC5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline
SMILESCCN(c1cc(Cl)ccc1CNC)C(C)COC
InChIInChI=1S/C14H23ClN2O/c1-5-17(11(2)10-18-4)14-8-13(15)7-6-12(14)9-16-3/h6-8,11,16H,5,9-10H2,1-4H3
InChIKeySRDWZDUZISYTBI-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.92
Rot. Bonds7

About 5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline

5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline (PubChem CID 114850215) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline
PubChem CID114850215
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline
SMILESCCN(c1cc(Cl)ccc1CNC)C(C)COC
InChIInChI=1S/C14H23ClN2O/c1-5-17(11(2)10-18-4)14-8-13(15)7-6-12(14)9-16-3/h6-8,11,16H,5,9-10H2,1-4H3
InChIKeySRDWZDUZISYTBI-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzonitrile
CID 63092721
2-(bromomethyl)-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)aniline
CID 107082189
5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 114853034
5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
CID 114847884
2-N-[5-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190004
N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline
CID 114848070
5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline
CID 114847371
5-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944743
5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
CID 114850462
5-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849967
2-(bromomethyl)-5-chloro-N-ethyl-N-propan-2-ylaniline
CID 107079890
N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline
CID 114847834

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline?
The IUPAC name of 5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline (CID 114850215) is 5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline.
What is the SMILES notation for 5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline?
The canonical SMILES for 5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline is CCN(c1cc(Cl)ccc1CNC)C(C)COC.
What is the InChIKey of 5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline?
The InChIKey is SRDWZDUZISYTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-5-17(11(2)10-18-4)14-8-13(15)7-6-12(14)9-16-3/h6-8,11,16H,5,9-10H2,1-4H3.
What are the key properties of 5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline?
5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline has a molecular weight of 270.80 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline is sourced from PubChem (CID 114850215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).