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

C16H18FNO — CID 23037612

IUPAC1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C16H18FNO/c1-12(18)9-14-7-8-16(15(17)10-14)19-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11,18H2,1H3
InChIKeyJPGHHQMATAFEMO-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.29
Rot. Bonds5

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

1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine (PubChem CID 23037612) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
PubChem CID23037612
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C16H18FNO/c1-12(18)9-14-7-8-16(15(17)10-14)19-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11,18H2,1H3
InChIKeyJPGHHQMATAFEMO-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.29
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-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 107693096
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 70863911
1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 107693014
1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692930
1-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692926
1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine
CID 107693106
1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
CID 117459786
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 107693284
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine (CID 23037612) is 1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine is CC(N)Cc1ccc(OCc2ccccc2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine?
The InChIKey is JPGHHQMATAFEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(18)9-14-7-8-16(15(17)10-14)19-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11,18H2,1H3.
What are the key properties of 1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine?
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine has a molecular weight of 259.32 g/mol, XLogP of 3.29, 5 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)propan-2-amine is sourced from PubChem (CID 23037612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).