1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol

C14H23NO2 — CID 54849301

IUPAC1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol
SMILESCCC(C)Oc1cccc(CNCC(C)O)c1
InChIInChI=1S/C14H23NO2/c1-4-12(3)17-14-7-5-6-13(8-14)10-15-9-11(2)16/h5-8,11-12,15-16H,4,9-10H2,1-3H3
InChIKeyHYKJVZLCPVYNHI-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.33
Rot. Bonds7

About 1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol

1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol (PubChem CID 54849301) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol
PubChem CID54849301
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol
SMILESCCC(C)Oc1cccc(CNCC(C)O)c1
InChIInChI=1S/C14H23NO2/c1-4-12(3)17-14-7-5-6-13(8-14)10-15-9-11(2)16/h5-8,11-12,15-16H,4,9-10H2,1-3H3
InChIKeyHYKJVZLCPVYNHI-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 54804849
1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199
(2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol
CID 94074486
N-[(3-butan-2-yloxyphenyl)methyl]hexadecan-1-amine
CID 54847916
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222
2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890981
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419
1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
N-[(3-butan-2-yloxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849186
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240

Frequently Asked Questions

What is the IUPAC name of 1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol (CID 54849301) is 1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol is CCC(C)Oc1cccc(CNCC(C)O)c1.
What is the InChIKey of 1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol?
The InChIKey is HYKJVZLCPVYNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-12(3)17-14-7-5-6-13(8-14)10-15-9-11(2)16/h5-8,11-12,15-16H,4,9-10H2,1-3H3.
What are the key properties of 1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol?
1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 54849301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).