N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline

C17H21ClN2O — CID 43720825

IUPACN-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1cccc(NCc2ccccc2Cl)c1
InChIInChI=1S/C17H21ClN2O/c1-20(2)10-11-21-16-8-5-7-15(12-16)19-13-14-6-3-4-9-17(14)18/h3-9,12,19H,10-11,13H2,1-2H3
InChIKeyCQDGYDGLHWKLBI-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.89
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline

N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline (PubChem CID 43720825) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
PubChem CID43720825
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1cccc(NCc2ccccc2Cl)c1
InChIInChI=1S/C17H21ClN2O/c1-20(2)10-11-21-16-8-5-7-15(12-16)19-13-14-6-3-4-9-17(14)18/h3-9,12,19H,10-11,13H2,1-2H3
InChIKeyCQDGYDGLHWKLBI-UHFFFAOYSA-N
XLogP3.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline
CID 43720831
N-[(2-chlorophenyl)methyl]-3-(3-methylbutoxy)aniline
CID 54800547
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463
4-[3-[(2-chlorophenyl)methylamino]phenoxy]butanenitrile
CID 60943994
3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328048
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43720850
N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720906
3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748054
N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 103818527
3-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60940843
3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43232434

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline (CID 43720825) is N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline is CN(C)CCOc1cccc(NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline?
The InChIKey is CQDGYDGLHWKLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-20(2)10-11-21-16-8-5-7-15(12-16)19-13-14-6-3-4-9-17(14)18/h3-9,12,19H,10-11,13H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline?
N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline has a molecular weight of 304.82 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline is sourced from PubChem (CID 43720825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).