(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine

C16H17F2NO — CID 62796286

IUPAC(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H17F2NO/c1-2-9-20-13-6-3-11(4-7-13)16(19)12-5-8-14(17)15(18)10-12/h3-8,10,16H,2,9,19H2,1H3
InChIKeyYTQGISYRLJTMML-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.80
Rot. Bonds5

About (3,4-difluorophenyl)-(4-propoxyphenyl)methanamine

(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine (PubChem CID 62796286) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
PubChem CID62796286
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H17F2NO/c1-2-9-20-13-6-3-11(4-7-13)16(19)12-5-8-14(17)15(18)10-12/h3-8,10,16H,2,9,19H2,1H3
InChIKeyYTQGISYRLJTMML-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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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(4-propoxyphenyl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(4-propoxyphenyl)methanamine (CID 62796286) is (3,4-difluorophenyl)-(4-propoxyphenyl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(4-propoxyphenyl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(N)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of (3,4-difluorophenyl)-(4-propoxyphenyl)methanamine?
The InChIKey is YTQGISYRLJTMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-2-9-20-13-6-3-11(4-7-13)16(19)12-5-8-14(17)15(18)10-12/h3-8,10,16H,2,9,19H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(4-propoxyphenyl)methanamine?
(3,4-difluorophenyl)-(4-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 (3,4-difluorophenyl)-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 62796286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).