2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline

C14H23ClN2 — CID 114069962

IUPAC2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)N(C)c1c(Cl)cccc1CCN
InChIInChI=1S/C14H23ClN2/c1-10(2)11(3)17(4)14-12(8-9-16)6-5-7-13(14)15/h5-7,10-11H,8-9,16H2,1-4H3
InChIKeyWZDKEJTUXIGAAC-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.32
Rot. Bonds5

About 2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline

2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 114069962) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
PubChem CID114069962
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)N(C)c1c(Cl)cccc1CCN
InChIInChI=1S/C14H23ClN2/c1-10(2)11(3)17(4)14-12(8-9-16)6-5-7-13(14)15/h5-7,10-11H,8-9,16H2,1-4H3
InChIKeyWZDKEJTUXIGAAC-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 114070065
3-chloro-2-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43570350
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine
CID 134630613
2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 114070080
2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 63783609
2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline
CID 114068118
2-[3-chloro-2-(4-methylpentoxy)phenyl]ethanamine
CID 112615068
1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone
CID 57156270
2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
CID 112615054
2-chloro-6-[methyl(3-methylbutan-2-yl)amino]benzenecarbothioamide
CID 62503125
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline (CID 114069962) is 2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline is CC(C)C(C)N(C)c1c(Cl)cccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is WZDKEJTUXIGAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-10(2)11(3)17(4)14-12(8-9-16)6-5-7-13(14)15/h5-7,10-11H,8-9,16H2,1-4H3.
What are the key properties of 2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline?
2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 254.80 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 114069962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).