5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline

C19H26N2O — CID 82153245

IUPAC5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(CCCNCc2ccccc2)cc1N
InChIInChI=1S/C19H26N2O/c1-15(2)22-19-11-10-16(13-18(19)20)9-6-12-21-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,15,21H,6,9,12,14,20H2,1-2H3
InChIKeyNKDBGODZWQDNDW-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.78
Rot. Bonds8

About 5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline

5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline (PubChem CID 82153245) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline
PubChem CID82153245
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(CCCNCc2ccccc2)cc1N
InChIInChI=1S/C19H26N2O/c1-15(2)22-19-11-10-16(13-18(19)20)9-6-12-21-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,15,21H,6,9,12,14,20H2,1-2H3
InChIKeyNKDBGODZWQDNDW-UHFFFAOYSA-N
XLogP3.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline
CID 82153253
5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline
CID 82153239
3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
CID 82153236
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine
CID 94759867
5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline
CID 94759766
3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43220682
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine
CID 94759879
2-(2-methylpropoxy)-5-[3-(pyridin-4-ylmethylamino)propyl]aniline
CID 94759809
5-[3-(3-methoxyanilino)propyl]-2-propan-2-yloxyaniline
CID 94760428
5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline
CID 94759859
5-[3-(cyclohexylamino)propyl]-2-propan-2-yloxyaniline
CID 82153248
5-[3-(3,4-difluoroanilino)propyl]-2-propan-2-yloxyaniline
CID 94760435

Frequently Asked Questions

What is the IUPAC name of 5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline?
The IUPAC name of 5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline (CID 82153245) is 5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline?
The canonical SMILES for 5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline is CC(C)Oc1ccc(CCCNCc2ccccc2)cc1N.
What is the InChIKey of 5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline?
The InChIKey is NKDBGODZWQDNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-15(2)22-19-11-10-16(13-18(19)20)9-6-12-21-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,15,21H,6,9,12,14,20H2,1-2H3.
What are the key properties of 5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline?
5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline has a molecular weight of 298.43 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 82153245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).