3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol

C15H26N2O2 — CID 82153236

IUPAC3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
SMILESCC(C)Oc1ccc(CCCNCCCO)cc1N
InChIInChI=1S/C15H26N2O2/c1-12(2)19-15-7-6-13(11-14(15)16)5-3-8-17-9-4-10-18/h6-7,11-12,17-18H,3-5,8-10,16H2,1-2H3
InChIKeyAOHAJJUMGVMLEJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.96
Rot. Bonds9

About 3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol

3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol (PubChem CID 82153236) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
PubChem CID82153236
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
SMILESCC(C)Oc1ccc(CCCNCCCO)cc1N
InChIInChI=1S/C15H26N2O2/c1-12(2)19-15-7-6-13(11-14(15)16)5-3-8-17-9-4-10-18/h6-7,11-12,17-18H,3-5,8-10,16H2,1-2H3
InChIKeyAOHAJJUMGVMLEJ-UHFFFAOYSA-N
XLogP1.96
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline
CID 82153239
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine
CID 94759867
5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline
CID 82153245
2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline
CID 82153253
5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline
CID 94759859
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
CID 82153190
5-[3-(3,4-difluoroanilino)propyl]-2-propan-2-yloxyaniline
CID 94760435
5-[3-(cyclohexylamino)propyl]-2-propan-2-yloxyaniline
CID 82153248
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine
CID 94759879
5-[3-(3-methoxyanilino)propyl]-2-propan-2-yloxyaniline
CID 94760428
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline
CID 82153259

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol?
The IUPAC name of 3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol (CID 82153236) is 3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol.
What is the SMILES notation for 3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol?
The canonical SMILES for 3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol is CC(C)Oc1ccc(CCCNCCCO)cc1N.
What is the InChIKey of 3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol?
The InChIKey is AOHAJJUMGVMLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(2)19-15-7-6-13(11-14(15)16)5-3-8-17-9-4-10-18/h6-7,11-12,17-18H,3-5,8-10,16H2,1-2H3.
What are the key properties of 3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol?
3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 1.96, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol is sourced from PubChem (CID 82153236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).