3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline

C25H34FN — CID 134407612

IUPAC3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline
SMILESCCCN(C)c1c(C)c(C=C(C)C)c(-c2cc(C)cc(F)c2)c(CC)c1C
InChIInChI=1S/C25H34FN/c1-9-11-27(8)25-18(6)22(10-2)24(23(19(25)7)12-16(3)4)20-13-17(5)14-21(26)15-20/h12-15H,9-11H2,1-8H3
InChIKeyDMDPVQQGQPWAFZ-UHFFFAOYSA-N
MW367.55 g/mol
LogP7.25
Rot. Bonds6

About 3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline

3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline (PubChem CID 134407612) has the molecular formula C25H34FN and a molecular weight of 367.55 g/mol. Its IUPAC name is 3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline.

Molecular Properties

Compound Name3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline
PubChem CID134407612
Molecular FormulaC25H34FN
Molecular Weight367.55 g/mol
Exact Mass367.27
IUPAC Name3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline
SMILESCCCN(C)c1c(C)c(C=C(C)C)c(-c2cc(C)cc(F)c2)c(CC)c1C
InChIInChI=1S/C25H34FN/c1-9-11-27(8)25-18(6)22(10-2)24(23(19(25)7)12-16(3)4)20-13-17(5)14-21(26)15-20/h12-15H,9-11H2,1-8H3
InChIKeyDMDPVQQGQPWAFZ-UHFFFAOYSA-N
XLogP7.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.55
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline?
The IUPAC name of 3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline (CID 134407612) is 3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline.
What is the SMILES notation for 3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline?
The canonical SMILES for 3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline is CCCN(C)c1c(C)c(C=C(C)C)c(-c2cc(C)cc(F)c2)c(CC)c1C.
What is the InChIKey of 3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline?
The InChIKey is DMDPVQQGQPWAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN/c1-9-11-27(8)25-18(6)22(10-2)24(23(19(25)7)12-16(3)4)20-13-17(5)14-21(26)15-20/h12-15H,9-11H2,1-8H3.
What are the key properties of 3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline?
3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline has a molecular weight of 367.55 g/mol, XLogP of 7.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-fluoro-5-methylphenyl)-N,2,6-trimethyl-5-(2-methylprop-1-enyl)-N-propylaniline is sourced from PubChem (CID 134407612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).