(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine

C17H19F2NO — CID 60964329

IUPAC(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccc(C(C)C)cc2)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-10(2)11-4-6-12(7-5-11)17(20)16-14(18)8-13(21-3)9-15(16)19/h4-10,17H,20H2,1-3H3
InChIKeyOKIARUSNPOLOGF-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.14
Rot. Bonds4

About (2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine

(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 60964329) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
PubChem CID60964329
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccc(C(C)C)cc2)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-10(2)11-4-6-12(7-5-11)17(20)16-14(18)8-13(21-3)9-15(16)19/h4-10,17H,20H2,1-3H3
InChIKeyOKIARUSNPOLOGF-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198710
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992878
(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992875
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880557
(4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607953
(2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 60965951
1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine
CID 61034522
(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 60964479
(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880486
(4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine
CID 62801900
(2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81126581

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine (CID 60964329) is (2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine is COc1cc(F)c(C(N)c2ccc(C(C)C)cc2)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is OKIARUSNPOLOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-10(2)11-4-6-12(7-5-11)17(20)16-14(18)8-13(21-3)9-15(16)19/h4-10,17H,20H2,1-3H3.
What are the key properties of (2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine?
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 291.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 60964329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).