2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline

C14H23ClN2 — CID 55124839

IUPAC2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
SMILESCC(N(C)c1cccc(Cl)c1CN)C(C)(C)C
InChIInChI=1S/C14H23ClN2/c1-10(14(2,3)4)17(5)13-8-6-7-12(15)11(13)9-16/h6-8,10H,9,16H2,1-5H3
InChIKeyCJICDHRMNIHUQA-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.67
Rot. Bonds3

About 2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline

2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline (PubChem CID 55124839) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
PubChem CID55124839
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
SMILESCC(N(C)c1cccc(Cl)c1CN)C(C)(C)C
InChIInChI=1S/C14H23ClN2/c1-10(14(2,3)4)17(5)13-8-6-7-12(15)11(13)9-16/h6-8,10H,9,16H2,1-5H3
InChIKeyCJICDHRMNIHUQA-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]benzaldehyde
CID 55010814
3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2,6-trimethylpyridin-4-amine
CID 81050931
3-chloro-2-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43570350
2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 61437395
2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline
CID 63406140
2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 63783609
3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol
CID 107733664
(2-chloro-6-methylsulfanylphenyl)methanamine
CID 62495314
3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739420
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 43565251
N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 134941806
2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline
CID 63784223

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline (CID 55124839) is 2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline is CC(N(C)c1cccc(Cl)c1CN)C(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The InChIKey is CJICDHRMNIHUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-10(14(2,3)4)17(5)13-8-6-7-12(15)11(13)9-16/h6-8,10H,9,16H2,1-5H3.
What are the key properties of 2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline has a molecular weight of 254.80 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline is sourced from PubChem (CID 55124839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).