[3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine

C14H13Cl2NO — CID 43531176

IUPAC[3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine
SMILESNCc1cccc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H13Cl2NO/c15-12-4-5-14(13(16)7-12)18-9-11-3-1-2-10(6-11)8-17/h1-7H,8-9,17H2
InChIKeyDRAKOSCJYUCETD-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.03
Rot. Bonds4

About [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine

[3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine (PubChem CID 43531176) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine
PubChem CID43531176
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name[3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine
SMILESNCc1cccc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H13Cl2NO/c15-12-4-5-14(13(16)7-12)18-9-11-3-1-2-10(6-11)8-17/h1-7H,8-9,17H2
InChIKeyDRAKOSCJYUCETD-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloro-4-(1-methylethoxy)benzenemethanamine
CID 12224369
1-[2-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine
CID 25033519
1-[2-(2,4-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 43283283
4-(2,4-Dichlorophenoxy)-3-(methylaminomethyl)benzonitrile
CID 44455653
4-[(3-Carbamimidoylphenyl)methoxy]-3,5-dichloro-benzamidine
CID 73355195
[4-[(3-Chlorophenyl)methoxy]phenyl]methanamine;hydrochloride
CID 76317228
[4-[(4-Chlorophenyl)methoxy]phenyl]methanamine;hydrochloride
CID 76320939
(R)-2-(4-chlorophenoxy)-1-phenylethanamine
CID 11253662
[4-(2,3-Dichlorophenoxy)phenyl]methanamine
CID 28965515
3-[(2,4-Dichlorophenoxy)methyl]benzonitrile
CID 29789593
1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine
CID 155146091
6,8-dichloro-3,4-dihydro-2H-1-benzopyran-4-amine
CID 16244421

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine?
The IUPAC name of [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine (CID 43531176) is [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine is NCc1cccc(COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine?
The InChIKey is DRAKOSCJYUCETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-12-4-5-14(13(16)7-12)18-9-11-3-1-2-10(6-11)8-17/h1-7H,8-9,17H2.
What are the key properties of [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine?
[3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine has a molecular weight of 282.17 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 43531176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).