1-[(3-butoxyphenyl)methylamino]propan-2-ol

C14H23NO2 — CID 54849199

IUPAC1-[(3-butoxyphenyl)methylamino]propan-2-ol
SMILESCCCCOc1cccc(CNCC(C)O)c1
InChIInChI=1S/C14H23NO2/c1-3-4-8-17-14-7-5-6-13(9-14)11-15-10-12(2)16/h5-7,9,12,15-16H,3-4,8,10-11H2,1-2H3
InChIKeyYYIMJNZSCBFKIP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.34
Rot. Bonds8

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

1-[(3-butoxyphenyl)methylamino]propan-2-ol (PubChem CID 54849199) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[(3-butoxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-butoxyphenyl)methylamino]propan-2-ol
PubChem CID54849199
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[(3-butoxyphenyl)methylamino]propan-2-ol
SMILESCCCCOc1cccc(CNCC(C)O)c1
InChIInChI=1S/C14H23NO2/c1-3-4-8-17-14-7-5-6-13(9-14)11-15-10-12(2)16/h5-7,9,12,15-16H,3-4,8,10-11H2,1-2H3
InChIKeyYYIMJNZSCBFKIP-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.34
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

N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
(2S)-1-[(4-hexoxyphenyl)methylamino]propan-2-ol
CID 46872164
(2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol
CID 94074486
1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol
CID 54849301
(2R,3S)-3-amino-4-(3-butoxyphenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol
CID 59021873
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol
CID 29222092
N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848590
1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
(2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997084

Frequently Asked Questions

What is the IUPAC name of 1-[(3-butoxyphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-[(3-butoxyphenyl)methylamino]propan-2-ol (CID 54849199) is 1-[(3-butoxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3-butoxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(3-butoxyphenyl)methylamino]propan-2-ol is CCCCOc1cccc(CNCC(C)O)c1.
What is the InChIKey of 1-[(3-butoxyphenyl)methylamino]propan-2-ol?
The InChIKey is YYIMJNZSCBFKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-4-8-17-14-7-5-6-13(9-14)11-15-10-12(2)16/h5-7,9,12,15-16H,3-4,8,10-11H2,1-2H3.
What are the key properties of 1-[(3-butoxyphenyl)methylamino]propan-2-ol?
1-[(3-butoxyphenyl)methylamino]propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-butoxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 54849199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).