[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine

C14H13Cl2NO — CID 39233257

IUPAC[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-18-14-5-2-9(8-17)6-12(14)11-7-10(15)3-4-13(11)16/h2-7H,8,17H2,1H3
InChIKeyVHTGLGYUEGUBAW-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.13
Rot. Bonds3

About [3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine

[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine (PubChem CID 39233257) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is [3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
PubChem CID39233257
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-18-14-5-2-9(8-17)6-12(14)11-7-10(15)3-4-13(11)16/h2-7H,8,17H2,1H3
InChIKeyVHTGLGYUEGUBAW-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
[3-[2-(2,5-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 22682500
(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
CID 19701901
[3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine
CID 114076769
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 90455887
[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
CID 68789943
5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889
[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine
CID 63088683
5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine?
The IUPAC name of [3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine (CID 39233257) is [3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of [3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine?
The InChIKey is VHTGLGYUEGUBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-18-14-5-2-9(8-17)6-12(14)11-7-10(15)3-4-13(11)16/h2-7H,8,17H2,1H3.
What are the key properties of [3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine?
[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine has a molecular weight of 282.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 39233257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).