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

C17H19Cl2N — CID 43102770

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NC(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-11(2)13-4-7-15(8-5-13)20-12(3)16-9-6-14(18)10-17(16)19/h4-12,20H,1-3H3
InChIKeyRSYVHLZHNLBTDT-UHFFFAOYSA-N
MW308.25 g/mol
LogP6.29
Rot. Bonds4

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

N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline (PubChem CID 43102770) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
PubChem CID43102770
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NC(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-11(2)13-4-7-15(8-5-13)20-12(3)16-9-6-14(18)10-17(16)19/h4-12,20H,1-3H3
InChIKeyRSYVHLZHNLBTDT-UHFFFAOYSA-N
XLogP6.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309
1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158524706
N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine
CID 66351684
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-4-nitroaniline
CID 82865314
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline
CID 82858118
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide
CID 43705401
1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375945
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
4-[1-(2,4-dichlorophenyl)ethylamino]-2-methylbenzenecarbothioamide
CID 81267977

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline (CID 43102770) is N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline is CC(C)c1ccc(NC(C)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline?
The InChIKey is RSYVHLZHNLBTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-11(2)13-4-7-15(8-5-13)20-12(3)16-9-6-14(18)10-17(16)19/h4-12,20H,1-3H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline?
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline has a molecular weight of 308.25 g/mol, XLogP of 6.29, 4 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)ethyl]-4-propan-2-ylaniline is sourced from PubChem (CID 43102770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).