N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline

C18H22ClN — CID 63448407

IUPACN-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NC(CC)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN/c1-4-14-8-6-7-13(3)18(14)20-17(5-2)15-9-11-16(19)12-10-15/h6-12,17,20H,4-5H2,1-3H3
InChIKeyYPXZYRSGMFEQAB-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.77
Rot. Bonds5

About N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline

N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline (PubChem CID 63448407) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline
PubChem CID63448407
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NC(CC)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN/c1-4-14-8-6-7-13(3)18(14)20-17(5-2)15-9-11-16(19)12-10-15/h6-12,17,20H,4-5H2,1-3H3
InChIKeyYPXZYRSGMFEQAB-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline
CID 63448610
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline
CID 63448450
4-bromo-2-[1-(2-ethyl-6-methylanilino)propyl]phenol
CID 63448408
N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547308
N-[1-(4-chlorophenyl)propyl]-2-methyl-3-nitroaniline
CID 43719693
N-[1-(4-chlorophenyl)propyl]-4-methyl-3-nitroaniline
CID 43718385
2,6-dichloro-N-[1-(4-chlorophenyl)butyl]aniline
CID 65467204
N-[3-[1-(4-chlorophenyl)propylamino]phenyl]acetamide
CID 43095855
1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105076565
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 43434316
1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82732749

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline (CID 63448407) is N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline is CCc1cccc(C)c1NC(CC)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline?
The InChIKey is YPXZYRSGMFEQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-4-14-8-6-7-13(3)18(14)20-17(5-2)15-9-11-16(19)12-10-15/h6-12,17,20H,4-5H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline?
N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline has a molecular weight of 287.83 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline is sourced from PubChem (CID 63448407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).