5-[2-(benzylamino)propyl]-2-ethoxyaniline

C18H24N2O — CID 82257507

IUPAC5-[2-(benzylamino)propyl]-2-ethoxyaniline
SMILESCCOc1ccc(CC(C)NCc2ccccc2)cc1N
InChIInChI=1S/C18H24N2O/c1-3-21-18-10-9-16(12-17(18)19)11-14(2)20-13-15-7-5-4-6-8-15/h4-10,12,14,20H,3,11,13,19H2,1-2H3
InChIKeyPWYDWOZJBCJSOU-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.39
Rot. Bonds7

About 5-[2-(benzylamino)propyl]-2-ethoxyaniline

5-[2-(benzylamino)propyl]-2-ethoxyaniline (PubChem CID 82257507) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-[2-(benzylamino)propyl]-2-ethoxyaniline.

Molecular Properties

Compound Name5-[2-(benzylamino)propyl]-2-ethoxyaniline
PubChem CID82257507
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-[2-(benzylamino)propyl]-2-ethoxyaniline
SMILESCCOc1ccc(CC(C)NCc2ccccc2)cc1N
InChIInChI=1S/C18H24N2O/c1-3-21-18-10-9-16(12-17(18)19)11-14(2)20-13-15-7-5-4-6-8-15/h4-10,12,14,20H,3,11,13,19H2,1-2H3
InChIKeyPWYDWOZJBCJSOU-UHFFFAOYSA-N
XLogP3.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline
CID 82257510
2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline
CID 82257453
2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline
CID 82257451
5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
CID 10382246
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17291399
2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline
CID 82257431
[5-[(2R)-2-(benzylamino)propyl]-2-methoxyphenyl]-oxomethanesulfonamide
CID 91345314
2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid
CID 82256147
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline
CID 82257704
4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine
CID 63593773
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzylamino)propyl]-2-ethoxyaniline?
The IUPAC name of 5-[2-(benzylamino)propyl]-2-ethoxyaniline (CID 82257507) is 5-[2-(benzylamino)propyl]-2-ethoxyaniline.
What is the SMILES notation for 5-[2-(benzylamino)propyl]-2-ethoxyaniline?
The canonical SMILES for 5-[2-(benzylamino)propyl]-2-ethoxyaniline is CCOc1ccc(CC(C)NCc2ccccc2)cc1N.
What is the InChIKey of 5-[2-(benzylamino)propyl]-2-ethoxyaniline?
The InChIKey is PWYDWOZJBCJSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-21-18-10-9-16(12-17(18)19)11-14(2)20-13-15-7-5-4-6-8-15/h4-10,12,14,20H,3,11,13,19H2,1-2H3.
What are the key properties of 5-[2-(benzylamino)propyl]-2-ethoxyaniline?
5-[2-(benzylamino)propyl]-2-ethoxyaniline has a molecular weight of 284.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzylamino)propyl]-2-ethoxyaniline is sourced from PubChem (CID 82257507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).