[3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine

C10H13F2NO — CID 58218153

IUPAC[3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine
SMILESNCc1cccc(OC(CF)CF)c1
InChIInChI=1S/C10H13F2NO/c11-5-10(6-12)14-9-3-1-2-8(4-9)7-13/h1-4,10H,5-7,13H2
InChIKeyJLKYZWQQISDEJE-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.83
Rot. Bonds5

About [3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine

[3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine (PubChem CID 58218153) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is [3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine
PubChem CID58218153
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine
SMILESNCc1cccc(OC(CF)CF)c1
InChIInChI=1S/C10H13F2NO/c11-5-10(6-12)14-9-3-1-2-8(4-9)7-13/h1-4,10H,5-7,13H2
InChIKeyJLKYZWQQISDEJE-UHFFFAOYSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine
CID 142399643
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 18407225
[3-(1-pyridin-3-ylethoxy)phenyl]methanamine
CID 82037282
3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 82037287
3-[3-(aminomethyl)phenoxy]butanenitrile
CID 106485040
2-[3-(aminomethyl)phenoxy]butanamide
CID 55210264
2-[3-(aminomethyl)phenoxy]butanenitrile;hydrochloride
CID 54593305
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
[3-(3-fluorophenoxy)phenyl]methanamine hydroxide
CID 86649819
[3-(fluoromethyl)phenyl]methanamine
CID 58789244
2-[3-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115863
[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine
CID 29004952

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine?
The IUPAC name of [3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine (CID 58218153) is [3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine.
What is the SMILES notation for [3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine?
The canonical SMILES for [3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine is NCc1cccc(OC(CF)CF)c1.
What is the InChIKey of [3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine?
The InChIKey is JLKYZWQQISDEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-5-10(6-12)14-9-3-1-2-8(4-9)7-13/h1-4,10H,5-7,13H2.
What are the key properties of [3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine?
[3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine has a molecular weight of 201.22 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine is sourced from PubChem (CID 58218153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).