4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline

C18H22ClN — CID 43101529

IUPAC4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
SMILESCc1cc(Cl)ccc1NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H22ClN/c1-12(2)15-5-7-16(8-6-15)14(4)20-18-10-9-17(19)11-13(18)3/h5-12,14,20H,1-4H3
InChIKeyVAZLWMWSZYTDSE-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.94
Rot. Bonds4

About 4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline

4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline (PubChem CID 43101529) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
PubChem CID43101529
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
SMILESCc1cc(Cl)ccc1NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H22ClN/c1-12(2)15-5-7-16(8-6-15)14(4)20-18-10-9-17(19)11-13(18)3/h5-12,14,20H,1-4H3
InChIKeyVAZLWMWSZYTDSE-UHFFFAOYSA-N
XLogP5.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile
CID 43111374
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylaniline
CID 43766595
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 43381921
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871
4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43093280
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline
CID 28553794
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 83069686
5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile
CID 55209456
5-chloro-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099949

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
The IUPAC name of 4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline (CID 43101529) is 4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
The canonical SMILES for 4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline is Cc1cc(Cl)ccc1NC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
The InChIKey is VAZLWMWSZYTDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-12(2)15-5-7-16(8-6-15)14(4)20-18-10-9-17(19)11-13(18)3/h5-12,14,20H,1-4H3.
What are the key properties of 4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline has a molecular weight of 287.83 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline is sourced from PubChem (CID 43101529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).