2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol

C16H27NO2 — CID 82314177

IUPAC2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol
SMILESCCCCNC(C)C(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-5-6-11-17-13(4)16(18)14-7-9-15(10-8-14)19-12(2)3/h7-10,12-13,16-18H,5-6,11H2,1-4H3
InChIKeyBPSHZTIQKGKOPN-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.29
Rot. Bonds8

About 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol

2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol (PubChem CID 82314177) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol
PubChem CID82314177
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol
SMILESCCCCNC(C)C(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-5-6-11-17-13(4)16(18)14-7-9-15(10-8-14)19-12(2)3/h7-10,12-13,16-18H,5-6,11H2,1-4H3
InChIKeyBPSHZTIQKGKOPN-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 82313866
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100874
2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316067
4-[[1-(4-ethoxyphenyl)-1-hydroxypropan-2-yl]amino]butanoic acid
CID 82314024
1-(4-bromophenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82312926
(1R,2S)-2-(butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 70902725
N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide
CID 18839396
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044
2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol
CID 110185547

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol?
The IUPAC name of 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol (CID 82314177) is 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol?
The canonical SMILES for 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol is CCCCNC(C)C(O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol?
The InChIKey is BPSHZTIQKGKOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-6-11-17-13(4)16(18)14-7-9-15(10-8-14)19-12(2)3/h7-10,12-13,16-18H,5-6,11H2,1-4H3.
What are the key properties of 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol?
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol is sourced from PubChem (CID 82314177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).