(2,4-difluoro-3-propylphenyl)methanamine

C10H13F2N — CID 165472681

IUPAC(2,4-difluoro-3-propylphenyl)methanamine
SMILESCCCc1c(F)ccc(CN)c1F
InChIInChI=1S/C10H13F2N/c1-2-3-8-9(11)5-4-7(6-13)10(8)12/h4-5H,2-3,6,13H2,1H3
InChIKeyZAIAKWJTHWLZSN-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.38
Rot. Bonds3

About (2,4-difluoro-3-propylphenyl)methanamine

(2,4-difluoro-3-propylphenyl)methanamine (PubChem CID 165472681) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is (2,4-difluoro-3-propylphenyl)methanamine.

Molecular Properties

Compound Name(2,4-difluoro-3-propylphenyl)methanamine
PubChem CID165472681
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name(2,4-difluoro-3-propylphenyl)methanamine
SMILESCCCc1c(F)ccc(CN)c1F
InChIInChI=1S/C10H13F2N/c1-2-3-8-9(11)5-4-7(6-13)10(8)12/h4-5H,2-3,6,13H2,1H3
InChIKeyZAIAKWJTHWLZSN-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-3-propylphenyl)methanamine
CID 139576799
(2,4-difluoro-3-methylphenyl)methanamine
CID 11469203
CID 160803924
CID 160803924
1,2,3,5-tetrafluoro-4-propylbenzene
CID 88575988
(2,3-difluorophenyl)methanamine
CID 2736941
1,2,4,5-tetrafluoro-3-propylbenzene
CID 12944004
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
hydroxymethyl 2,6-difluoro-3-propylbenzoate
CID 174733249
1-ethenyl-3-fluoro-2-propylbenzene
CID 66613054
(3-chloro-4-fluoro-2-methylphenyl)methanamine
CID 84766568
(4-bromo-2,3-difluorophenyl)methanamine
CID 66820102
1-cyclopropyl-3-fluoro-2-propylbenzene
CID 143129340

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-3-propylphenyl)methanamine?
The IUPAC name of (2,4-difluoro-3-propylphenyl)methanamine (CID 165472681) is (2,4-difluoro-3-propylphenyl)methanamine.
What is the SMILES notation for (2,4-difluoro-3-propylphenyl)methanamine?
The canonical SMILES for (2,4-difluoro-3-propylphenyl)methanamine is CCCc1c(F)ccc(CN)c1F.
What is the InChIKey of (2,4-difluoro-3-propylphenyl)methanamine?
The InChIKey is ZAIAKWJTHWLZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-2-3-8-9(11)5-4-7(6-13)10(8)12/h4-5H,2-3,6,13H2,1H3.
What are the key properties of (2,4-difluoro-3-propylphenyl)methanamine?
(2,4-difluoro-3-propylphenyl)methanamine has a molecular weight of 185.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-3-propylphenyl)methanamine is sourced from PubChem (CID 165472681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).