1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine

C17H20FNO — CID 107693258

IUPAC1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C17H20FNO/c1-2-15(19)10-14-8-9-17(16(18)11-14)20-12-13-6-4-3-5-7-13/h3-9,11,15H,2,10,12,19H2,1H3
InChIKeyYORFKSBZOYYVGB-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.68
Rot. Bonds6

About 1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine

1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine (PubChem CID 107693258) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
PubChem CID107693258
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C17H20FNO/c1-2-15(19)10-14-8-9-17(16(18)11-14)20-12-13-6-4-3-5-7-13/h3-9,11,15H,2,10,12,19H2,1H3
InChIKeyYORFKSBZOYYVGB-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 107693284
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
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
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 70863911
1-[3-fluoro-4-(trifluoromethoxy)phenyl]butan-2-amine
CID 170889505
1-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]butan-2-amine
CID 63421771
methyl 3-[4-(2-aminobutyl)-2-fluorophenoxy]propanoate
CID 107693330
1-[3-fluoro-4-(2-propan-2-ylsulfonylethoxy)phenyl]butan-2-amine
CID 107693431
1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
CID 117459786
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117407186

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine?
The IUPAC name of 1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine (CID 107693258) is 1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine is CCC(N)Cc1ccc(OCc2ccccc2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine?
The InChIKey is YORFKSBZOYYVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-2-15(19)10-14-8-9-17(16(18)11-14)20-12-13-6-4-3-5-7-13/h3-9,11,15H,2,10,12,19H2,1H3.
What are the key properties of 1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine?
1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine has a molecular weight of 273.35 g/mol, XLogP of 3.68, 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-phenylmethoxyphenyl)butan-2-amine is sourced from PubChem (CID 107693258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).