(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine

C13H18FN — CID 106881667

IUPAC(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine
SMILESCc1cc(C)c(C(N)C2CC2C)c(F)c1
InChIInChI=1S/C13H18FN/c1-7-4-9(3)12(11(14)5-7)13(15)10-6-8(10)2/h4-5,8,10,13H,6,15H2,1-3H3
InChIKeyYFVAKRFKGWQSMO-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.10
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine

(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine (PubChem CID 106881667) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine
PubChem CID106881667
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine
SMILESCc1cc(C)c(C(N)C2CC2C)c(F)c1
InChIInChI=1S/C13H18FN/c1-7-4-9(3)12(11(14)5-7)13(15)10-6-8(10)2/h4-5,8,10,13H,6,15H2,1-3H3
InChIKeyYFVAKRFKGWQSMO-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 106881549
(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881656
(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881648
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883666
1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881477
(1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881778
(1,1-dioxothian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883860
2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883593
(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881896
(2-fluoro-4,6-dimethylphenyl)-(1,4-oxathian-2-yl)methanamine
CID 106881803
(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 104989384

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine (CID 106881667) is (2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine is Cc1cc(C)c(C(N)C2CC2C)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine?
The InChIKey is YFVAKRFKGWQSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-7-4-9(3)12(11(14)5-7)13(15)10-6-8(10)2/h4-5,8,10,13H,6,15H2,1-3H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine?
(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine has a molecular weight of 207.29 g/mol, XLogP of 3.10, 2 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)-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 106881667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).