4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline

C15H26N2O2 — CID 54984969

IUPAC4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
SMILESCOCCCN(CCOC)c1ccc(C(C)N)cc1
InChIInChI=1S/C15H26N2O2/c1-13(16)14-5-7-15(8-6-14)17(10-12-19-3)9-4-11-18-2/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyFRNQZDFYKACSCL-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.20
Rot. Bonds9

About 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline

4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline (PubChem CID 54984969) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
PubChem CID54984969
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
SMILESCOCCCN(CCOC)c1ccc(C(C)N)cc1
InChIInChI=1S/C15H26N2O2/c1-13(16)14-5-7-15(8-6-14)17(10-12-19-3)9-4-11-18-2/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyFRNQZDFYKACSCL-UHFFFAOYSA-N
XLogP2.20
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline
CID 55189419
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987087
3-[4-[(1R)-1-aminoethyl]-N-(2-methoxyethyl)anilino]propanenitrile
CID 55191198
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline
CID 61427308
4-[(1S)-1-aminoethyl]-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 78934764
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005527
4-[(1S)-1-aminoethyl]-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 78935497
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54989680
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
2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine
CID 63675678
N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline
CID 61418340

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The IUPAC name of 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline (CID 54984969) is 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline.
What is the SMILES notation for 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The canonical SMILES for 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline is COCCCN(CCOC)c1ccc(C(C)N)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The InChIKey is FRNQZDFYKACSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-13(16)14-5-7-15(8-6-14)17(10-12-19-3)9-4-11-18-2/h5-8,13H,4,9-12,16H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline has a molecular weight of 266.38 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline is sourced from PubChem (CID 54984969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).