5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline

C16H17Cl2N — CID 54798681

IUPAC5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline
SMILESCc1ccc(Cl)cc1NCCCc1ccccc1Cl
InChIInChI=1S/C16H17Cl2N/c1-12-8-9-14(17)11-16(12)19-10-4-6-13-5-2-3-7-15(13)18/h2-3,5,7-9,11,19H,4,6,10H2,1H3
InChIKeySIBHLPWBRKFUEU-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.35
Rot. Bonds5

About 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline

5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline (PubChem CID 54798681) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline
PubChem CID54798681
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline
SMILESCc1ccc(Cl)cc1NCCCc1ccccc1Cl
InChIInChI=1S/C16H17Cl2N/c1-12-8-9-14(17)11-16(12)19-10-4-6-13-5-2-3-7-15(13)18/h2-3,5,7-9,11,19H,4,6,10H2,1H3
InChIKeySIBHLPWBRKFUEU-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline
CID 54797840
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118257
2,5-dichloro-N-(3-phenylpropyl)aniline
CID 29049060
5-chloro-2-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54798398
N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 54809835
5-chloro-N-(3,3-dimethylbutyl)-2-methylaniline
CID 63420169
4-chloro-2-[(2-chlorophenyl)methyl]-1-methylbenzene
CID 90782927
3-(5-chloro-2-methylanilino)propane-1-sulfonic acid
CID 12544213
5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline
CID 43729443
2-(5-chloro-2-methylanilino)-N-(2-chlorophenyl)acetamide
CID 9102932
N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28562912

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline?
The IUPAC name of 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline (CID 54798681) is 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline.
What is the SMILES notation for 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline?
The canonical SMILES for 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline is Cc1ccc(Cl)cc1NCCCc1ccccc1Cl.
What is the InChIKey of 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline?
The InChIKey is SIBHLPWBRKFUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-12-8-9-14(17)11-16(12)19-10-4-6-13-5-2-3-7-15(13)18/h2-3,5,7-9,11,19H,4,6,10H2,1H3.
What are the key properties of 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline?
5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline has a molecular weight of 294.23 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline is sourced from PubChem (CID 54798681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).