2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline

C15H16Cl2N2 — CID 65317637

IUPAC2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline
SMILESCN(Cc1ccccc1N)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-19(9-11-4-2-3-5-15(11)18)10-12-8-13(16)6-7-14(12)17/h2-8H,9-10,18H2,1H3
InChIKeyKHNPGVZQRSLARK-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.21
Rot. Bonds4

About 2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline

2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline (PubChem CID 65317637) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline
PubChem CID65317637
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline
SMILESCN(Cc1ccccc1N)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-19(9-11-4-2-3-5-15(11)18)10-12-8-13(16)6-7-14(12)17/h2-8H,9-10,18H2,1H3
InChIKeyKHNPGVZQRSLARK-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
4-chloro-2-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 79582235
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-4-nitroaniline
CID 62209688
3-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-fluoroaniline
CID 107347290
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383822
[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 60921813
3-chloro-2-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 63747627
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599
2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide
CID 63083482
2-[(2-aminophenyl)methyl-methylamino]-5-chlorobenzamide
CID 62494381

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline?
The IUPAC name of 2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline (CID 65317637) is 2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline.
What is the SMILES notation for 2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline?
The canonical SMILES for 2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline is CN(Cc1ccccc1N)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline?
The InChIKey is KHNPGVZQRSLARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-19(9-11-4-2-3-5-15(11)18)10-12-8-13(16)6-7-14(12)17/h2-8H,9-10,18H2,1H3.
What are the key properties of 2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline?
2-[[(2,5-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 2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline is sourced from PubChem (CID 65317637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).