4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline

C15H26N2 — CID 79477951

IUPAC4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C15H26N2/c1-5-12(3)11-17(6-2)15-9-7-14(8-10-15)13(4)16/h7-10,12-13H,5-6,11,16H2,1-4H3/t12?,13-/m1/s1
InChIKeyMGNLKMMJGDAGNP-ZGTCLIOFSA-N
MW234.39 g/mol
LogP3.58
Rot. Bonds6

About 4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline

4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline (PubChem CID 79477951) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline
PubChem CID79477951
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C15H26N2/c1-5-12(3)11-17(6-2)15-9-7-14(8-10-15)13(4)16/h7-10,12-13H,5-6,11,16H2,1-4H3/t12?,13-/m1/s1
InChIKeyMGNLKMMJGDAGNP-ZGTCLIOFSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(1-aminoethyl)-N-ethylanilino]-2-methylpropanenitrile
CID 54988524
4-(1-aminoethyl)-N-ethyl-N-propylaniline
CID 43268863
4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline
CID 79477246
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852
4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline
CID 79477437
4-(1-aminoethyl)-2-bromo-N-ethyl-N-(2-methylbutyl)aniline
CID 79476860
3-[4-[(1R)-1-aminoethyl]-N-ethylanilino]propan-1-ol
CID 104861799
N'-[4-[(1S)-1-aminoethyl]phenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994146
4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline
CID 63368258
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637
4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline
CID 78936154
1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol
CID 114066768

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline (CID 79477951) is 4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline is CCC(C)CN(CC)c1ccc([C@@H](C)N)cc1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline?
The InChIKey is MGNLKMMJGDAGNP-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-12(3)11-17(6-2)15-9-7-14(8-10-15)13(4)16/h7-10,12-13H,5-6,11,16H2,1-4H3/t12?,13-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline?
4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline has a molecular weight of 234.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 79477951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).