4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline

C15H26N2O — CID 54987087

IUPAC4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
SMILESCOCCN(CC(C)C)c1ccc(C(C)N)cc1
InChIInChI=1S/C15H26N2O/c1-12(2)11-17(9-10-18-4)15-7-5-14(6-8-15)13(3)16/h5-8,12-13H,9-11,16H2,1-4H3
InChIKeyBUCCOSKRYAKWHA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.82
Rot. Bonds7

About 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline

4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline (PubChem CID 54987087) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
PubChem CID54987087
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
SMILESCOCCN(CC(C)C)c1ccc(C(C)N)cc1
InChIInChI=1S/C15H26N2O/c1-12(2)11-17(9-10-18-4)15-7-5-14(6-8-15)13(3)16/h5-8,12-13H,9-11,16H2,1-4H3
InChIKeyBUCCOSKRYAKWHA-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', '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-(3-methoxypropyl)aniline
CID 54984969
3-[4-[(1R)-1-aminoethyl]-N-(2-methoxyethyl)anilino]propanenitrile
CID 55191198
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline
CID 61427308
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005527
4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
CID 54987138
4-[(1S)-1-aminoethyl]-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 78935497
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
CID 63071872
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987089
4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide
CID 81276883
2-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-4-amine
CID 62285332
4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 55189591

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline?
The IUPAC name of 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline (CID 54987087) is 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline is COCCN(CC(C)C)c1ccc(C(C)N)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline?
The InChIKey is BUCCOSKRYAKWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)11-17(9-10-18-4)15-7-5-14(6-8-15)13(3)16/h5-8,12-13H,9-11,16H2,1-4H3.
What are the key properties of 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline?
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline has a molecular weight of 250.39 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline is sourced from PubChem (CID 54987087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).