2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline

C15H15Cl2N — CID 43757200

IUPAC2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline
SMILESCc1ccc(CNc2cc(Cl)ccc2Cl)cc1C
InChIInChI=1S/C15H15Cl2N/c1-10-3-4-12(7-11(10)2)9-18-15-8-13(16)5-6-14(15)17/h3-8,18H,9H2,1-2H3
InChIKeyAPDBUTCBXVOVSL-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.22
Rot. Bonds3

About 2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline

2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline (PubChem CID 43757200) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline
PubChem CID43757200
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline
SMILESCc1ccc(CNc2cc(Cl)ccc2Cl)cc1C
InChIInChI=1S/C15H15Cl2N/c1-10-3-4-12(7-11(10)2)9-18-15-8-13(16)5-6-14(15)17/h3-8,18H,9H2,1-2H3
InChIKeyAPDBUTCBXVOVSL-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.20
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-N-[(3,4-dimethylphenyl)methyl]benzene-1,2-diamine
CID 115125234
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
CID 83235718
2,5-dichloro-N-[(4-iodophenyl)methyl]aniline
CID 65499551
2-chloro-N-[(3,4-dimethylphenyl)methyl]-5-nitroaniline
CID 43785643
4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide
CID 43791004
methyl 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzoate
CID 43784636
4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
CID 28545153
2,4,6-trichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43773692
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 63417776
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-iodoaniline
CID 43788803
2-chloro-N-[(3-chloro-4-methylphenyl)methyl]-5-iodoaniline
CID 114258452
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline?
The IUPAC name of 2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline (CID 43757200) is 2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline is Cc1ccc(CNc2cc(Cl)ccc2Cl)cc1C.
What is the InChIKey of 2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline?
The InChIKey is APDBUTCBXVOVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-10-3-4-12(7-11(10)2)9-18-15-8-13(16)5-6-14(15)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline?
2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline has a molecular weight of 280.20 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline is sourced from PubChem (CID 43757200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).