2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine

C16H18FNO — CID 102940587

IUPAC2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine
SMILESNCC(COCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H18FNO/c17-16-8-4-7-14(9-16)15(10-18)12-19-11-13-5-2-1-3-6-13/h1-9,15H,10-12,18H2
InChIKeyPZVDGDSHZCMZRW-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.08
Rot. Bonds6

About 2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine

2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine (PubChem CID 102940587) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine
PubChem CID102940587
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine
SMILESNCC(COCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H18FNO/c17-16-8-4-7-14(9-16)15(10-18)12-19-11-13-5-2-1-3-6-13/h1-9,15H,10-12,18H2
InChIKeyPZVDGDSHZCMZRW-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-5-phenylpentan-1-amine
CID 79015149
2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine
CID 102940584
2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940597
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457132
1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene
CID 69109634
1-bromo-3-(1-bromo-3-phenylmethoxypropan-2-yl)benzene
CID 102940998
2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol
CID 102940911
2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine
CID 79440307
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248
benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 130581025

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine (CID 102940587) is 2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine is NCC(COCc1ccccc1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine?
The InChIKey is PZVDGDSHZCMZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c17-16-8-4-7-14(9-16)15(10-18)12-19-11-13-5-2-1-3-6-13/h1-9,15H,10-12,18H2.
What are the key properties of 2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine?
2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine has a molecular weight of 259.32 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine is sourced from PubChem (CID 102940587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).