(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine

C17H19F2N — CID 116543886

IUPAC(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H19F2N/c1-11(2)8-12-4-3-5-13(9-12)17(20)14-6-7-15(18)16(19)10-14/h3-7,9-11,17H,8,20H2,1-2H3
InChIKeyFUJWYUVNGHNBBD-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.21
Rot. Bonds4

About (3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine

(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 116543886) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID116543886
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H19F2N/c1-11(2)8-12-4-3-5-13(9-12)17(20)14-6-7-15(18)16(19)10-14/h3-7,9-11,17H,8,20H2,1-2H3
InChIKeyFUJWYUVNGHNBBD-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050770
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050742
(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050632
(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 114330154
[4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine
CID 116937056
(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050773
(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 62920523
[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
CID 116545007
1-(3-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544023
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine (CID 116543886) is (3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1cccc(C(N)c2ccc(F)c(F)c2)c1.
What is the InChIKey of (3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is FUJWYUVNGHNBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-11(2)8-12-4-3-5-13(9-12)17(20)14-6-7-15(18)16(19)10-14/h3-7,9-11,17H,8,20H2,1-2H3.
What are the key properties of (3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 275.34 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 116543886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).