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

C16H17F2NO — CID 62920523

IUPAC(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H17F2NO/c1-2-8-20-13-5-3-4-11(9-13)16(19)12-6-7-14(17)15(18)10-12/h3-7,9-10,16H,2,8,19H2,1H3
InChIKeyCAWXSQVNAGYSMX-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.80
Rot. Bonds5

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

(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine (PubChem CID 62920523) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
PubChem CID62920523
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H17F2NO/c1-2-8-20-13-5-3-4-11(9-13)16(19)12-6-7-14(17)15(18)10-12/h3-7,9-10,16H,2,8,19H2,1H3
InChIKeyCAWXSQVNAGYSMX-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

(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
CID 62796286
4-[chloro-(3-propoxyphenyl)methyl]-1,2-difluorobenzene
CID 63431622
(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 115861923
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
(5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine
CID 115804729
(4-bromo-3-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105022404
(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine
CID 62795607
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 79723526
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine
CID 114521500
(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine
CID 62919680

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3-propoxyphenyl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(3-propoxyphenyl)methanamine (CID 62920523) is (3,4-difluorophenyl)-(3-propoxyphenyl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(3-propoxyphenyl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(N)c2ccc(F)c(F)c2)c1.
What is the InChIKey of (3,4-difluorophenyl)-(3-propoxyphenyl)methanamine?
The InChIKey is CAWXSQVNAGYSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-2-8-20-13-5-3-4-11(9-13)16(19)12-6-7-14(17)15(18)10-12/h3-7,9-10,16H,2,8,19H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(3-propoxyphenyl)methanamine?
(3,4-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 (3,4-difluorophenyl)-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 62920523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).