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

C14H24N2 — CID 78935741

IUPAC2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline
SMILESCCN(CC(C)C)c1ccccc1[C@@H](C)N
InChIInChI=1S/C14H24N2/c1-5-16(10-11(2)3)14-9-7-6-8-13(14)12(4)15/h6-9,11-12H,5,10,15H2,1-4H3/t12-/m1/s1
InChIKeyKQQHZTIUTBPHOX-GFCCVEGCSA-N
MW220.36 g/mol
LogP3.19
Rot. Bonds5

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

2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline (PubChem CID 78935741) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline
PubChem CID78935741
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline
SMILESCCN(CC(C)C)c1ccccc1[C@@H](C)N
InChIInChI=1S/C14H24N2/c1-5-16(10-11(2)3)14-9-7-6-8-13(14)12(4)15/h6-9,11-12H,5,10,15H2,1-4H3/t12-/m1/s1
InChIKeyKQQHZTIUTBPHOX-GFCCVEGCSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987089
2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55010759
2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
CID 63697735
N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 78935470
2-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 78935268
N'-[2-(1-aminopropyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 115995090
2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 43295960
2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480549
2-(1-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 43269689
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline (CID 78935741) is 2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline is CCN(CC(C)C)c1ccccc1[C@@H](C)N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline?
The InChIKey is KQQHZTIUTBPHOX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-16(10-11(2)3)14-9-7-6-8-13(14)12(4)15/h6-9,11-12H,5,10,15H2,1-4H3/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline?
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline has a molecular weight of 220.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 78935741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).