(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine

C16H17F2NO — CID 115861923

IUPAC(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2cccc(F)c2F)c1
InChIInChI=1S/C16H17F2NO/c1-2-9-20-12-6-3-5-11(10-12)16(19)13-7-4-8-14(17)15(13)18/h3-8,10,16H,2,9,19H2,1H3
InChIKeyWFFHXIYAQUWJNY-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.80
Rot. Bonds5

About (2,3-difluorophenyl)-(3-propoxyphenyl)methanamine

(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine (PubChem CID 115861923) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine
PubChem CID115861923
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2cccc(F)c2F)c1
InChIInChI=1S/C16H17F2NO/c1-2-9-20-12-6-3-5-11(10-12)16(19)13-7-4-8-14(17)15(13)18/h3-8,10,16H,2,9,19H2,1H3
InChIKeyWFFHXIYAQUWJNY-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 62920523
(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine
CID 62919680
(2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 107513083
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
1-benzothiophen-7-yl-(3-propoxyphenyl)methanamine
CID 105021889
(5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine
CID 115804729
(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050770
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606426

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(3-propoxyphenyl)methanamine?
The IUPAC name of (2,3-difluorophenyl)-(3-propoxyphenyl)methanamine (CID 115861923) is (2,3-difluorophenyl)-(3-propoxyphenyl)methanamine.
What is the SMILES notation for (2,3-difluorophenyl)-(3-propoxyphenyl)methanamine?
The canonical SMILES for (2,3-difluorophenyl)-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(N)c2cccc(F)c2F)c1.
What is the InChIKey of (2,3-difluorophenyl)-(3-propoxyphenyl)methanamine?
The InChIKey is WFFHXIYAQUWJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-2-9-20-12-6-3-5-11(10-12)16(19)13-7-4-8-14(17)15(13)18/h3-8,10,16H,2,9,19H2,1H3.
What are the key properties of (2,3-difluorophenyl)-(3-propoxyphenyl)methanamine?
(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine has a molecular weight of 277.31 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 115861923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).