N-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline

C18H22ClN — CID 123669594

IUPACN-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline
SMILESCCc1cccc(NC(C)(C)c2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C18H22ClN/c1-5-14-7-6-8-16(12-14)20-18(3,4)15-9-10-17(19)13(2)11-15/h6-12,20H,5H2,1-4H3
InChIKeyWYLZQIIGYBNPDS-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.56
Rot. Bonds4

About N-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline

N-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline (PubChem CID 123669594) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline.

Molecular Properties

Compound NameN-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline
PubChem CID123669594
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline
SMILESCCc1cccc(NC(C)(C)c2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C18H22ClN/c1-5-14-7-6-8-16(12-14)20-18(3,4)15-9-10-17(19)13(2)11-15/h6-12,20H,5H2,1-4H3
InChIKeyWYLZQIIGYBNPDS-UHFFFAOYSA-N
XLogP5.56
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 ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline
CID 29298509
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid
CID 60990853
N-[(3,5-dichlorophenyl)methyl]-3-ethylaniline
CID 60788560
CID 58064173
CID 58064173
N'-(3-ethylphenyl)methanediamine
CID 89312870
[2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273522
2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid
CID 71564937
N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline
CID 113470945
3-ethyl-N-(4-methylphenyl)aniline
CID 139833776
4-(3-ethylanilino)-2-methylbutan-2-ol
CID 79360431
1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene
CID 166786212

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline?
The IUPAC name of N-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline (CID 123669594) is N-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline.
What is the SMILES notation for N-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline?
The canonical SMILES for N-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline is CCc1cccc(NC(C)(C)c2ccc(Cl)c(C)c2)c1.
What is the InChIKey of N-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline?
The InChIKey is WYLZQIIGYBNPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-5-14-7-6-8-16(12-14)20-18(3,4)15-9-10-17(19)13(2)11-15/h6-12,20H,5H2,1-4H3.
What are the key properties of N-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline?
N-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline has a molecular weight of 287.83 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline is sourced from PubChem (CID 123669594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).