but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine

C16H28FNO — CID 142275035

IUPACbut-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine
SMILESC=CC(C)O.CC.CCCNCc1cccc(F)c1
InChIInChI=1S/C10H14FN.C4H8O.C2H6/c1-2-6-12-8-9-4-3-5-10(11)7-9;1-3-4(2)5;1-2/h3-5,7,12H,2,6,8H2,1H3;3-5H,1H2,2H3;1-2H3
InChIKeyIAQRFCVLJXOOOE-UHFFFAOYSA-N
MW269.40 g/mol
LogP3.90
Rot. Bonds5

About but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine

but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine (PubChem CID 142275035) has the molecular formula C16H28FNO and a molecular weight of 269.40 g/mol. Its IUPAC name is but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Namebut-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine
PubChem CID142275035
Molecular FormulaC16H28FNO
Molecular Weight269.40 g/mol
Exact Mass269.22
IUPAC Namebut-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine
SMILESC=CC(C)O.CC.CCCNCc1cccc(F)c1
InChIInChI=1S/C10H14FN.C4H8O.C2H6/c1-2-6-12-8-9-4-3-5-10(11)7-9;1-3-4(2)5;1-2/h3-5,7,12H,2,6,8H2,1H3;3-5H,1H2,2H3;1-2H3
InChIKeyIAQRFCVLJXOOOE-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
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(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
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3-[(3-fluorophenyl)methylamino]propan-1-ol
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3-(propylaminomethyl)phenol
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N-[(3-fluorophenyl)methyl]-2-propan-2-ylsulfonylethanamine
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Frequently Asked Questions

What is the IUPAC name of but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine (CID 142275035) is but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine is C=CC(C)O.CC.CCCNCc1cccc(F)c1.
What is the InChIKey of but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine?
The InChIKey is IAQRFCVLJXOOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN.C4H8O.C2H6/c1-2-6-12-8-9-4-3-5-10(11)7-9;1-3-4(2)5;1-2/h3-5,7,12H,2,6,8H2,1H3;3-5H,1H2,2H3;1-2H3.
What are the key properties of but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine?
but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine has a molecular weight of 269.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 142275035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).