1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine

C16H16FNO — CID 66688931

IUPAC1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESNC1(c2cc(F)ccc2OCc2ccccc2)CC1
InChIInChI=1S/C16H16FNO/c17-13-6-7-15(14(10-13)16(18)8-9-16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,18H2
InChIKeyVNLFNXMOTULGAP-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.35
Rot. Bonds4

About 1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine

1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine (PubChem CID 66688931) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
PubChem CID66688931
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESNC1(c2cc(F)ccc2OCc2ccccc2)CC1
InChIInChI=1S/C16H16FNO/c17-13-6-7-15(14(10-13)16(18)8-9-16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,18H2
InChIKeyVNLFNXMOTULGAP-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine
CID 146572380
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
CID 91468453
CID 91468453
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
7-fluoro-1-phenylmethoxynaphthalene
CID 154464455
1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine
CID 164862876
2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene
CID 134377917
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
5-fluoro-2-(phenylmethoxymethoxy)aniline
CID 102939313
[1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine
CID 117498798
[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine
CID 172653869

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine (CID 66688931) is 1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine is NC1(c2cc(F)ccc2OCc2ccccc2)CC1.
What is the InChIKey of 1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine?
The InChIKey is VNLFNXMOTULGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-13-6-7-15(14(10-13)16(18)8-9-16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,18H2.
What are the key properties of 1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine?
1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine has a molecular weight of 257.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 66688931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).