[3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine

C17H19F2NO — CID 168904542

IUPAC[3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine
SMILESCOc1cc(CN)cc(-c2ccc(C(C)(F)F)cc2)c1C
InChIInChI=1S/C17H19F2NO/c1-11-15(8-12(10-20)9-16(11)21-3)13-4-6-14(7-5-13)17(2,18)19/h4-9H,10,20H2,1-3H3
InChIKeyJMUZPHWBWWMFOI-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.24
Rot. Bonds4

About [3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine

[3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine (PubChem CID 168904542) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is [3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine
PubChem CID168904542
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name[3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine
SMILESCOc1cc(CN)cc(-c2ccc(C(C)(F)F)cc2)c1C
InChIInChI=1S/C17H19F2NO/c1-11-15(8-12(10-20)9-16(11)21-3)13-4-6-14(7-5-13)17(2,18)19/h4-9H,10,20H2,1-3H3
InChIKeyJMUZPHWBWWMFOI-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 168665249
[3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine
CID 39233059
5-[(3R)-3-[4-(1,1-difluoroethyl)phenyl]butyl]-1,2,3-trimethoxybenzene
CID 162611291
[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
CID 54910100
(4-tert-butyl-3-methoxyphenyl)methanamine
CID 82669944
[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
CID 172652225
[3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine
CID 82039407
[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631582
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
5-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-1,2,3-trimethoxybenzene
CID 174877647
[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 105406659
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869

Frequently Asked Questions

What is the IUPAC name of [3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine?
The IUPAC name of [3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine (CID 168904542) is [3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine.
What is the SMILES notation for [3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine?
The canonical SMILES for [3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine is COc1cc(CN)cc(-c2ccc(C(C)(F)F)cc2)c1C.
What is the InChIKey of [3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine?
The InChIKey is JMUZPHWBWWMFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11-15(8-12(10-20)9-16(11)21-3)13-4-6-14(7-5-13)17(2,18)19/h4-9H,10,20H2,1-3H3.
What are the key properties of [3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine?
[3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine has a molecular weight of 291.34 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine is sourced from PubChem (CID 168904542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).