(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine

C10H11ClFN — CID 114867476

IUPAC(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine
SMILESCNC/C=C/c1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFN/c1-13-6-2-3-8-4-5-9(11)7-10(8)12/h2-5,7,13H,6H2,1H3/b3-2+
InChIKeyPAZSUELNTFPDPG-NSCUHMNNSA-N
MW199.66 g/mol
LogP2.71
Rot. Bonds3

About (E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine

(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine (PubChem CID 114867476) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is (E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine
PubChem CID114867476
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine
SMILESCNC/C=C/c1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFN/c1-13-6-2-3-8-4-5-9(11)7-10(8)12/h2-5,7,13H,6H2,1H3/b3-2+
InChIKeyPAZSUELNTFPDPG-NSCUHMNNSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 169474594
[3-fluoro-4-[3-(methylamino)prop-1-enyl]phenyl]methanol
CID 169473492
tert-butyl N-[3-(4-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169467051
3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473168
4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
CID 169473282
3-(5-chloro-2-nitrophenyl)-N-methylprop-2-en-1-amine
CID 169473983
4-(4-chloro-2-fluorophenyl)but-3-en-2-one
CID 67127595
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene
CID 89436956
(E,3R)-6-(4-chloro-2-fluorophenyl)-3-methoxyhex-5-en-2-one
CID 177204728
3-(4-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 79347354

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of (E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine (CID 114867476) is (E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine is CNC/C=C/c1ccc(Cl)cc1F.
What is the InChIKey of (E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine?
The InChIKey is PAZSUELNTFPDPG-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11ClFN/c1-13-6-2-3-8-4-5-9(11)7-10(8)12/h2-5,7,13H,6H2,1H3/b3-2+.
What are the key properties of (E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine?
(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine has a molecular weight of 199.66 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 114867476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).