2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline

C16H28N2 — CID 114016626

IUPAC2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline
SMILESCCC(CC)CN(CC)c1ccc(C)cc1CN
InChIInChI=1S/C16H28N2/c1-5-14(6-2)12-18(7-3)16-9-8-13(4)10-15(16)11-17/h8-10,14H,5-7,11-12,17H2,1-4H3
InChIKeyVQWWVJAJXSMKSX-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.72
Rot. Bonds7

About 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline

2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline (PubChem CID 114016626) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline
PubChem CID114016626
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline
SMILESCCC(CC)CN(CC)c1ccc(C)cc1CN
InChIInChI=1S/C16H28N2/c1-5-14(6-2)12-18(7-3)16-9-8-13(4)10-15(16)11-17/h8-10,14H,5-7,11-12,17H2,1-4H3
InChIKeyVQWWVJAJXSMKSX-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline
CID 114054619
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline
CID 43587076
2-[ethyl(2-ethylbutyl)amino]-5-methylbenzenecarbothioamide
CID 107928650
N'-[2-(aminomethyl)-4-methylphenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 107926377
2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline
CID 107926001
2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide
CID 62308130
N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline
CID 114055099
2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline
CID 114861221
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline
CID 43587074
2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline
CID 107926166
2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline
CID 63406140
3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine
CID 63076761

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline (CID 114016626) is 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline is CCC(CC)CN(CC)c1ccc(C)cc1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline?
The InChIKey is VQWWVJAJXSMKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-14(6-2)12-18(7-3)16-9-8-13(4)10-15(16)11-17/h8-10,14H,5-7,11-12,17H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline?
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline has a molecular weight of 248.41 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline is sourced from PubChem (CID 114016626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).