4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline

C16H28N2 — CID 79482768

IUPAC4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1ccc(CCN)cc1C
InChIInChI=1S/C16H28N2/c1-5-13(3)12-18(6-2)16-8-7-15(9-10-17)11-14(16)4/h7-8,11,13H,5-6,9-10,12,17H2,1-4H3
InChIKeyZGUYCMSNFOSPLV-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.37
Rot. Bonds7

About 4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline

4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline (PubChem CID 79482768) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline
PubChem CID79482768
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1ccc(CCN)cc1C
InChIInChI=1S/C16H28N2/c1-5-13(3)12-18(6-2)16-8-7-15(9-10-17)11-14(16)4/h7-8,11,13H,5-6,9-10,12,17H2,1-4H3
InChIKeyZGUYCMSNFOSPLV-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-N-butyl-N-ethyl-2-methylaniline
CID 63782866
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline
CID 107402420
4-(2-aminoethyl)-N,N,2-trimethylaniline
CID 18543495
5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride
CID 70562248
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline
CID 62121360
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 79478202
2-bromo-1-N-ethyl-5-methyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 114048289
5-(aminomethyl)-N-ethyl-3-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 80635400
N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline
CID 79480652
ethyl 5-amino-2-[ethyl(2-methylbutyl)amino]benzoate
CID 79470096
4-[(tert-butylamino)methyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79481530

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline (CID 79482768) is 4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline is CCC(C)CN(CC)c1ccc(CCN)cc1C.
What is the InChIKey of 4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline?
The InChIKey is ZGUYCMSNFOSPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-13(3)12-18(6-2)16-8-7-15(9-10-17)11-14(16)4/h7-8,11,13H,5-6,9-10,12,17H2,1-4H3.
What are the key properties of 4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline?
4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline has a molecular weight of 248.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 79482768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).