2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline

C13H22N2 — CID 107105504

IUPAC2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline
SMILESCc1cccc(CN)c1N(C)CC(C)C
InChIInChI=1S/C13H22N2/c1-10(2)9-15(4)13-11(3)6-5-7-12(13)8-14/h5-7,10H,8-9,14H2,1-4H3
InChIKeyIETMJZMQYFCMED-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.55
Rot. Bonds4

About 2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline

2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline (PubChem CID 107105504) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline
PubChem CID107105504
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline
SMILESCc1cccc(CN)c1N(C)CC(C)C
InChIInChI=1S/C13H22N2/c1-10(2)9-15(4)13-11(3)6-5-7-12(13)8-14/h5-7,10H,8-9,14H2,1-4H3
InChIKeyIETMJZMQYFCMED-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide
CID 107105633
2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol
CID 107105810
2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline
CID 107105568
2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline
CID 107105687
2-(aminomethyl)-N-(furan-2-ylmethyl)-N,6-dimethylaniline
CID 107105514
2-(aminomethyl)-N-cyclohexyl-N,6-dimethylaniline
CID 107105472
2-(aminomethyl)-N,6-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 107105586
N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772632
2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 107105590
3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine
CID 43669369
2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol
CID 107478449
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline
CID 107105713

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline?
The IUPAC name of 2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline (CID 107105504) is 2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline is Cc1cccc(CN)c1N(C)CC(C)C.
What is the InChIKey of 2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline?
The InChIKey is IETMJZMQYFCMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)9-15(4)13-11(3)6-5-7-12(13)8-14/h5-7,10H,8-9,14H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline?
2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline has a molecular weight of 206.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 107105504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).