(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine

C17H20FNO — CID 62795607

IUPAC(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H20FNO/c1-3-10-20-15-7-4-13(5-8-15)17(19)14-6-9-16(18)12(2)11-14/h4-9,11,17H,3,10,19H2,1-2H3
InChIKeyWDBYOORCXSBIST-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.97
Rot. Bonds5

About (4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine

(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine (PubChem CID 62795607) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine
PubChem CID62795607
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H20FNO/c1-3-10-20-15-7-4-13(5-8-15)17(19)14-6-9-16(18)12(2)11-14/h4-9,11,17H,3,10,19H2,1-2H3
InChIKeyWDBYOORCXSBIST-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
CID 62796286
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 104657808
(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
CID 115853243
(5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine
CID 115853390
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 62920523
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine
CID 105144279
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
(4-butoxyphenyl)-(4-methylphenyl)methanamine
CID 105092574
(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79747463
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 79723526

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine?
The IUPAC name of (4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine (CID 62795607) is (4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine?
The canonical SMILES for (4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(N)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of (4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine?
The InChIKey is WDBYOORCXSBIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-10-20-15-7-4-13(5-8-15)17(19)14-6-9-16(18)12(2)11-14/h4-9,11,17H,3,10,19H2,1-2H3.
What are the key properties of (4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine?
(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine has a molecular weight of 273.35 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 62795607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).