(E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine

C16H22F3N — CID 164887978

IUPAC(E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCCCN(C/C=C/c1ccc(C(F)(F)F)cc1)CCC
InChIInChI=1S/C16H22F3N/c1-3-11-20(12-4-2)13-5-6-14-7-9-15(10-8-14)16(17,18)19/h5-10H,3-4,11-13H2,1-2H3/b6-5+
InChIKeyDYMIAZRKPODHAA-AATRIKPKSA-N
MW285.35 g/mol
LogP4.84
Rot. Bonds7

About (E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine

(E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 164887978) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is (E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID164887978
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name(E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCCCN(C/C=C/c1ccc(C(F)(F)F)cc1)CCC
InChIInChI=1S/C16H22F3N/c1-3-11-20(12-4-2)13-5-6-14-7-9-15(10-8-14)16(17,18)19/h5-10H,3-4,11-13H2,1-2H3/b6-5+
InChIKeyDYMIAZRKPODHAA-AATRIKPKSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 164887978) is (E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine is CCCN(C/C=C/c1ccc(C(F)(F)F)cc1)CCC.
What is the InChIKey of (E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is DYMIAZRKPODHAA-AATRIKPKSA-N. The full InChI is InChI=1S/C16H22F3N/c1-3-11-20(12-4-2)13-5-6-14-7-9-15(10-8-14)16(17,18)19/h5-10H,3-4,11-13H2,1-2H3/b6-5+.
What are the key properties of (E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
(E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dipropyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 164887978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).