4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline

C15H16Cl2N2 — CID 43458300

IUPAC4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
SMILESCN(Cc1ccc(N)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c1-19(9-11-2-5-13(18)6-3-11)10-12-4-7-14(16)15(17)8-12/h2-8H,9-10,18H2,1H3
InChIKeyCOWSZGBZPANKLQ-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.21
Rot. Bonds4

About 4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline

4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline (PubChem CID 43458300) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
PubChem CID43458300
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
SMILESCN(Cc1ccc(N)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c1-19(9-11-2-5-13(18)6-3-11)10-12-4-7-14(16)15(17)8-12/h2-8H,9-10,18H2,1H3
InChIKeyCOWSZGBZPANKLQ-UHFFFAOYSA-N
XLogP4.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373737
4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265
2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-fluoroaniline
CID 171706536
3-[(3,4-dichlorophenyl)methyl-methylamino]propanethioamide
CID 29009744
2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
CID 43458332
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
3-[[(3-bromophenyl)methyl-methylamino]methyl]-4-chloroaniline
CID 61415895
4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine
CID 82183785
4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 60917459
4-N-[(3-chloro-4-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 103038289
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline?
The IUPAC name of 4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline (CID 43458300) is 4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline.
What is the SMILES notation for 4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline?
The canonical SMILES for 4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline is CN(Cc1ccc(N)cc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline?
The InChIKey is COWSZGBZPANKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-19(9-11-2-5-13(18)6-3-11)10-12-4-7-14(16)15(17)8-12/h2-8H,9-10,18H2,1H3.
What are the key properties of 4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline?
4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline has a molecular weight of 295.21 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline is sourced from PubChem (CID 43458300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).