N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline

C17H20ClN — CID 54797840

IUPACN-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline
SMILESCc1cccc(NCCCc2ccccc2Cl)c1C
InChIInChI=1S/C17H20ClN/c1-13-7-5-11-17(14(13)2)19-12-6-9-15-8-3-4-10-16(15)18/h3-5,7-8,10-11,19H,6,9,12H2,1-2H3
InChIKeyXQTGRNRMABQDPR-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.00
Rot. Bonds5

About N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline

N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline (PubChem CID 54797840) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline
PubChem CID54797840
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline
SMILESCc1cccc(NCCCc2ccccc2Cl)c1C
InChIInChI=1S/C17H20ClN/c1-13-7-5-11-17(14(13)2)19-12-6-9-15-8-3-4-10-16(15)18/h3-5,7-8,10-11,19H,6,9,12H2,1-2H3
InChIKeyXQTGRNRMABQDPR-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.00
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

5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline
CID 54798681
2-chloro-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796032
N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide
CID 26416416
N'-(2,3-dimethylphenyl)pentane-1,5-diamine
CID 129283902
3-chloro-2-methyl-N-octylaniline
CID 43129192
2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
CID 114251746
N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline
CID 54801396
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047
azane;1-butyl-2-chlorobenzene
CID 19011342
3-chloro-2-methyl-N-(4-methylpentyl)aniline
CID 83155980
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54807006

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline (CID 54797840) is N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline is Cc1cccc(NCCCc2ccccc2Cl)c1C.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline?
The InChIKey is XQTGRNRMABQDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-13-7-5-11-17(14(13)2)19-12-6-9-15-8-3-4-10-16(15)18/h3-5,7-8,10-11,19H,6,9,12H2,1-2H3.
What are the key properties of N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline?
N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline has a molecular weight of 273.81 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline is sourced from PubChem (CID 54797840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).