2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine

C14H22FNO — CID 106457132

IUPAC2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
SMILESCC(C)COCCC(CN)c1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-11(2)10-17-7-6-13(9-16)12-4-3-5-14(15)8-12/h3-5,8,11,13H,6-7,9-10,16H2,1-2H3
InChIKeyKQWXNHBWRSOXNB-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.93
Rot. Bonds7

About 2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine

2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine (PubChem CID 106457132) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
PubChem CID106457132
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
SMILESCC(C)COCCC(CN)c1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-11(2)10-17-7-6-13(9-16)12-4-3-5-14(15)8-12/h3-5,8,11,13H,6-7,9-10,16H2,1-2H3
InChIKeyKQWXNHBWRSOXNB-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457134
4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine
CID 82138332
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 79441142
2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine
CID 83975700
2-(4-fluorophenyl)-4-(3-methylbutoxy)butan-1-amine
CID 79442251
2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79440305
2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138304
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940587
2-(3-fluorophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79432439
2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104568651
2-(3-fluorophenyl)-5-phenylpentan-1-amine
CID 79015149

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine (CID 106457132) is 2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine is CC(C)COCCC(CN)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine?
The InChIKey is KQWXNHBWRSOXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-11(2)10-17-7-6-13(9-16)12-4-3-5-14(15)8-12/h3-5,8,11,13H,6-7,9-10,16H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine?
2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine is sourced from PubChem (CID 106457132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).