4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline

C14H24N2 — CID 60930401

IUPAC4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline
SMILESCCC(C)N(CC)c1ccc(CN)cc1C
InChIInChI=1S/C14H24N2/c1-5-12(4)16(6-2)14-8-7-13(10-15)9-11(14)3/h7-9,12H,5-6,10,15H2,1-4H3
InChIKeyXOSBNDOYQNOFBA-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.08
Rot. Bonds5

About 4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline

4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline (PubChem CID 60930401) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline
PubChem CID60930401
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline
SMILESCCC(C)N(CC)c1ccc(CN)cc1C
InChIInChI=1S/C14H24N2/c1-5-12(4)16(6-2)14-8-7-13(10-15)9-11(14)3/h7-9,12H,5-6,10,15H2,1-4H3
InChIKeyXOSBNDOYQNOFBA-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline
CID 82793395
4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 63785303
4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline
CID 60930279
N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline
CID 62121532
4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
CID 43274064
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448
4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline
CID 60930044
2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190030
2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide
CID 103103281
4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline
CID 62979806
4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline
CID 79482768

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline (CID 60930401) is 4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline is CCC(C)N(CC)c1ccc(CN)cc1C.
What is the InChIKey of 4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline?
The InChIKey is XOSBNDOYQNOFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-12(4)16(6-2)14-8-7-13(10-15)9-11(14)3/h7-9,12H,5-6,10,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline?
4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline has a molecular weight of 220.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline is sourced from PubChem (CID 60930401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).