(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine

C18H22FN — CID 106881261

IUPAC(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(C(C)C)cc2)c(F)c1
InChIInChI=1S/C18H22FN/c1-11(2)14-5-7-15(8-6-14)18(20)17-13(4)9-12(3)10-16(17)19/h5-11,18H,20H2,1-4H3
InChIKeyBIYYDAQDISARKI-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.61
Rot. Bonds3

About (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine

(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 106881261) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
PubChem CID106881261
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(C(C)C)cc2)c(F)c1
InChIInChI=1S/C18H22FN/c1-11(2)14-5-7-15(8-6-14)18(20)17-13(4)9-12(3)10-16(17)19/h5-11,18H,20H2,1-4H3
InChIKeyBIYYDAQDISARKI-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198710
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
(2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine
CID 106883516
1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene
CID 165068605
[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
CID 43100339
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 106883591
[4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
CID 43106145
(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881519
(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883863

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine (CID 106881261) is (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine is Cc1cc(C)c(C(N)c2ccc(C(C)C)cc2)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is BIYYDAQDISARKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-11(2)14-5-7-15(8-6-14)18(20)17-13(4)9-12(3)10-16(17)19/h5-11,18H,20H2,1-4H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine?
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 271.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 106881261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).