(E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine

C14H18FN — CID 115751536

IUPAC(E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine
SMILESCC(NC/C=C/c1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H18FN/c1-11(13-6-7-13)16-10-2-3-12-4-8-14(15)9-5-12/h2-5,8-9,11,13,16H,6-7,10H2,1H3/b3-2+
InChIKeyIZQCTMBTYOCQRM-NSCUHMNNSA-N
MW219.30 g/mol
LogP3.23
Rot. Bonds5

About (E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine

(E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine (PubChem CID 115751536) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is (E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine
PubChem CID115751536
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name(E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine
SMILESCC(NC/C=C/c1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H18FN/c1-11(13-6-7-13)16-10-2-3-12-4-8-14(15)9-5-12/h2-5,8-9,11,13,16H,6-7,10H2,1H3/b3-2+
InChIKeyIZQCTMBTYOCQRM-NSCUHMNNSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine?
The IUPAC name of (E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine (CID 115751536) is (E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine is CC(NC/C=C/c1ccc(F)cc1)C1CC1.
What is the InChIKey of (E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine?
The InChIKey is IZQCTMBTYOCQRM-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H18FN/c1-11(13-6-7-13)16-10-2-3-12-4-8-14(15)9-5-12/h2-5,8-9,11,13,16H,6-7,10H2,1H3/b3-2+.
What are the key properties of (E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine?
(E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine has a molecular weight of 219.30 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 115751536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).