3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine

C17H17Cl2NO — CID 169474704

IUPAC3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2NO/c1-20-10-2-3-13-4-7-15(8-5-13)21-12-14-6-9-16(18)17(19)11-14/h2-9,11,20H,10,12H2,1H3
InChIKeyOQVCYCLBXIPRMZ-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.80
Rot. Bonds6

About 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine

3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine (PubChem CID 169474704) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine
PubChem CID169474704
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2NO/c1-20-10-2-3-13-4-7-15(8-5-13)21-12-14-6-9-16(18)17(19)11-14/h2-9,11,20H,10,12H2,1H3
InChIKeyOQVCYCLBXIPRMZ-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 131847801
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 19060245
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839719
3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine
CID 169473141
4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene
CID 174759962
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine
CID 23343765
4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 91655713
2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene
CID 90146696
3-[4-[(4-bromophenyl)methoxy]phenyl]-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide
CID 3696314

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine (CID 169474704) is 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine is CNCC=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine?
The InChIKey is OQVCYCLBXIPRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-20-10-2-3-13-4-7-15(8-5-13)21-12-14-6-9-16(18)17(19)11-14/h2-9,11,20H,10,12H2,1H3.
What are the key properties of 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine?
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine has a molecular weight of 322.24 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169474704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).