(E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine

C11H13ClFN — CID 103912541

IUPAC(E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine
SMILESCC(NC/C=C/Cl)c1ccc(F)cc1
InChIInChI=1S/C11H13ClFN/c1-9(14-8-2-7-12)10-3-5-11(13)6-4-10/h2-7,9,14H,8H2,1H3/b7-2+
InChIKeyAKDYABKFQQGQCX-FARCUNLSSA-N
MW213.68 g/mol
LogP3.23
Rot. Bonds4

About (E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine

(E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine (PubChem CID 103912541) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is (E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine
PubChem CID103912541
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name(E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine
SMILESCC(NC/C=C/Cl)c1ccc(F)cc1
InChIInChI=1S/C11H13ClFN/c1-9(14-8-2-7-12)10-3-5-11(13)6-4-10/h2-7,9,14H,8H2,1H3/b7-2+
InChIKeyAKDYABKFQQGQCX-FARCUNLSSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-chloro-N-[1-(4-methylphenyl)ethyl]prop-2-en-1-amine
CID 103912955
(E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 106437925
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
(E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine
CID 107899906
ethyl (E)-4-[1-(4-fluorophenyl)ethylamino]but-2-enoate
CID 80547628
(E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine
CID 107900148
(Z)-4-[1-(4-fluorophenyl)ethylamino]-2-methylbut-2-enoic acid
CID 103244269
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 60887762
(E)-4-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]but-2-en-1-amine
CID 81430289
methyl (E)-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbut-2-enoate
CID 103257173
(E)-N-[(1R)-1-(4-methylphenyl)ethyl]but-2-en-1-amine
CID 107899120

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine (CID 103912541) is (E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine is CC(NC/C=C/Cl)c1ccc(F)cc1.
What is the InChIKey of (E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine?
The InChIKey is AKDYABKFQQGQCX-FARCUNLSSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-9(14-8-2-7-12)10-3-5-11(13)6-4-10/h2-7,9,14H,8H2,1H3/b7-2+.
What are the key properties of (E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine?
(E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine has a molecular weight of 213.68 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 103912541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).