(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine

C17H20FN — CID 105050249

IUPAC(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2cc(C)ccc2F)c1
InChIInChI=1S/C17H20FN/c1-3-5-13-6-4-7-14(11-13)17(19)15-10-12(2)8-9-16(15)18/h4,6-11,17H,3,5,19H2,1-2H3
InChIKeyLVVKLYISSCXMLQ-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.13
Rot. Bonds4

About (2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine

(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine (PubChem CID 105050249) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine
PubChem CID105050249
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2cc(C)ccc2F)c1
InChIInChI=1S/C17H20FN/c1-3-5-13-6-4-7-14(11-13)17(19)15-10-12(2)8-9-16(15)18/h4,6-11,17H,3,5,19H2,1-2H3
InChIKeyLVVKLYISSCXMLQ-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine
CID 105050408
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
CID 114906021
(2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine
CID 115852651
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(2,5-dimethylphenyl)-(3-ethylphenyl)methanamine
CID 105018566
(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine
CID 105050580
(2-methoxyphenyl)-(3-propylphenyl)methanamine
CID 116543821
(2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine
CID 105018919
[3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine
CID 116936966
1-(3-propylphenyl)ethanamine
CID 116543909
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine?
The IUPAC name of (2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine (CID 105050249) is (2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine is CCCc1cccc(C(N)c2cc(C)ccc2F)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine?
The InChIKey is LVVKLYISSCXMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-5-13-6-4-7-14(11-13)17(19)15-10-12(2)8-9-16(15)18/h4,6-11,17H,3,5,19H2,1-2H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine?
(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine has a molecular weight of 257.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine is sourced from PubChem (CID 105050249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).