N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline

C18H21Cl2N — CID 43503309

IUPACN-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
SMILESCCC(Nc1ccc(C(C)C)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2N/c1-4-18(16-10-7-14(19)11-17(16)20)21-15-8-5-13(6-9-15)12(2)3/h5-12,18,21H,4H2,1-3H3
InChIKeyWLPQSKZTALNHCI-UHFFFAOYSA-N
MW322.28 g/mol
LogP6.68
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline

N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline (PubChem CID 43503309) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
PubChem CID43503309
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
SMILESCCC(Nc1ccc(C(C)C)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2N/c1-4-18(16-10-7-14(19)11-17(16)20)21-15-8-5-13(6-9-15)12(2)3/h5-12,18,21H,4H2,1-3H3
InChIKeyWLPQSKZTALNHCI-UHFFFAOYSA-N
XLogP6.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-4-methylsulfanylaniline
CID 43503298
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
CID 107618733
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
3-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 43503411
N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline
CID 43503453
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline (CID 43503309) is N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline is CCC(Nc1ccc(C(C)C)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline?
The InChIKey is WLPQSKZTALNHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-4-18(16-10-7-14(19)11-17(16)20)21-15-8-5-13(6-9-15)12(2)3/h5-12,18,21H,4H2,1-3H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline?
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline has a molecular weight of 322.28 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline is sourced from PubChem (CID 43503309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).