1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine

C17H19F2NO — CID 107693284

IUPAC1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-2-15(20)9-13-5-8-17(16(19)10-13)21-11-12-3-6-14(18)7-4-12/h3-8,10,15H,2,9,11,20H2,1H3
InChIKeyDFBSBIGYDNGCBY-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.82
Rot. Bonds6

About 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine

1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine (PubChem CID 107693284) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine
PubChem CID107693284
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-2-15(20)9-13-5-8-17(16(19)10-13)21-11-12-3-6-14(18)7-4-12/h3-8,10,15H,2,9,11,20H2,1H3
InChIKeyDFBSBIGYDNGCBY-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
CID 107693258
1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 107693394
1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine
CID 107693440
1-[4-(2-bromo-4-fluorophenoxy)-3-fluorophenyl]butan-2-amine
CID 63816803
1-[3-fluoro-4-(trifluoromethoxy)phenyl]butan-2-amine
CID 170889505
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine
CID 63817149
1-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]butan-2-amine
CID 63421771
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
methyl 3-[4-(2-aminobutyl)-2-fluorophenoxy]propanoate
CID 107693330
1-[3-fluoro-4-(2-propan-2-ylsulfonylethoxy)phenyl]butan-2-amine
CID 107693431
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine (CID 107693284) is 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1ccc(OCc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine?
The InChIKey is DFBSBIGYDNGCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-2-15(20)9-13-5-8-17(16(19)10-13)21-11-12-3-6-14(18)7-4-12/h3-8,10,15H,2,9,11,20H2,1H3.
What are the key properties of 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine?
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 107693284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).