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

C16H28N2O — CID 82153239

IUPAC5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline
SMILESCC(C)CNCCCc1ccc(OC(C)C)c(N)c1
InChIInChI=1S/C16H28N2O/c1-12(2)11-18-9-5-6-14-7-8-16(15(17)10-14)19-13(3)4/h7-8,10,12-13,18H,5-6,9,11,17H2,1-4H3
InChIKeyNZZSTAPADLFRIP-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.23
Rot. Bonds8

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

5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline (PubChem CID 82153239) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline
PubChem CID82153239
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline
SMILESCC(C)CNCCCc1ccc(OC(C)C)c(N)c1
InChIInChI=1S/C16H28N2O/c1-12(2)11-18-9-5-6-14-7-8-16(15(17)10-14)19-13(3)4/h7-8,10,12-13,18H,5-6,9,11,17H2,1-4H3
InChIKeyNZZSTAPADLFRIP-UHFFFAOYSA-N
XLogP3.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.23
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

3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
CID 82153236
5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline
CID 82153245
5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline
CID 94759766
2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline
CID 82153253
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine
CID 94759867
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine
CID 94759879
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
5-[3-(3-methoxyanilino)propyl]-2-propan-2-yloxyaniline
CID 94760428
5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline
CID 82153259
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline?
The IUPAC name of 5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline (CID 82153239) is 5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline?
The canonical SMILES for 5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline is CC(C)CNCCCc1ccc(OC(C)C)c(N)c1.
What is the InChIKey of 5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline?
The InChIKey is NZZSTAPADLFRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)11-18-9-5-6-14-7-8-16(15(17)10-14)19-13(3)4/h7-8,10,12-13,18H,5-6,9,11,17H2,1-4H3.
What are the key properties of 5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline?
5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline has a molecular weight of 264.41 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 82153239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).