(Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine

C11H12Cl2FN — CID 106437714

IUPAC(Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine
SMILESC/C(=C/Cl)CNCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12Cl2FN/c1-8(5-12)6-15-7-9-2-3-11(14)10(13)4-9/h2-5,15H,6-7H2,1H3/b8-5-
InChIKeyDLUOLBSYEAPOJU-YVMONPNESA-N
MW248.13 g/mol
LogP3.71
Rot. Bonds4

About (Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine

(Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine (PubChem CID 106437714) has the molecular formula C11H12Cl2FN and a molecular weight of 248.13 g/mol. Its IUPAC name is (Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine
PubChem CID106437714
Molecular FormulaC11H12Cl2FN
Molecular Weight248.13 g/mol
Exact Mass247.03
IUPAC Name(Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine
SMILESC/C(=C/Cl)CNCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12Cl2FN/c1-8(5-12)6-15-7-9-2-3-11(14)10(13)4-9/h2-5,15H,6-7H2,1H3/b8-5-
InChIKeyDLUOLBSYEAPOJU-YVMONPNESA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
2-bromo-N-[(3-chloro-4-fluorophenyl)methyl]prop-2-en-1-amine
CID 62537461
ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate
CID 62537294
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 55244423
N'-[(3-chloro-4-fluorophenyl)methyl]-N-methylethane-1,2-diamine;ethane
CID 144872416
(2S)-4-[(3-chloro-4-fluorophenyl)methylamino]butan-2-ol
CID 97053093
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide
CID 62538780
N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 81143847
N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylbutan-1-amine
CID 62537604
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol
CID 55087063
N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide
CID 115166258

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of (Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine (CID 106437714) is (Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine is C/C(=C/Cl)CNCc1ccc(F)c(Cl)c1.
What is the InChIKey of (Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine?
The InChIKey is DLUOLBSYEAPOJU-YVMONPNESA-N. The full InChI is InChI=1S/C11H12Cl2FN/c1-8(5-12)6-15-7-9-2-3-11(14)10(13)4-9/h2-5,15H,6-7H2,1H3/b8-5-.
What are the key properties of (Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine?
(Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine has a molecular weight of 248.13 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106437714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).