2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline

C13H22N2O — CID 78935486

IUPAC2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
SMILESCOCCCN(C)c1ccccc1[C@@H](C)N
InChIInChI=1S/C13H22N2O/c1-11(14)12-7-4-5-8-13(12)15(2)9-6-10-16-3/h4-5,7-8,11H,6,9-10,14H2,1-3H3/t11-/m1/s1
InChIKeyBYJVWDJQXZSENJ-LLVKDONJSA-N
MW222.33 g/mol
LogP2.18
Rot. Bonds6

About 2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline

2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline (PubChem CID 78935486) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
PubChem CID78935486
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
SMILESCOCCCN(C)c1ccccc1[C@@H](C)N
InChIInChI=1S/C13H22N2O/c1-11(14)12-7-4-5-8-13(12)15(2)9-6-10-16-3/h4-5,7-8,11H,6,9-10,14H2,1-3H3/t11-/m1/s1
InChIKeyBYJVWDJQXZSENJ-LLVKDONJSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54989680
N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694909
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
CID 112678949
2-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81055890
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
2-[3-methoxypropyl(methyl)amino]phenol
CID 134473103
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987089
N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 115995187
3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile
CID 43188866
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline (CID 78935486) is 2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline is COCCCN(C)c1ccccc1[C@@H](C)N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline?
The InChIKey is BYJVWDJQXZSENJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(14)12-7-4-5-8-13(12)15(2)9-6-10-16-3/h4-5,7-8,11H,6,9-10,14H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline?
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline has a molecular weight of 222.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline is sourced from PubChem (CID 78935486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).