3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline

C18H21Cl2NO — CID 54796892

IUPAC3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline
SMILESCc1ccc(C(C)C)c(OCCNc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C18H21Cl2NO/c1-12(2)17-5-4-13(3)8-18(17)22-7-6-21-16-10-14(19)9-15(20)11-16/h4-5,8-12,21H,6-7H2,1-3H3
InChIKeyGFSHZBHPRLCPEP-UHFFFAOYSA-N
MW338.28 g/mol
LogP5.92
Rot. Bonds6

About 3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline

3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline (PubChem CID 54796892) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline
PubChem CID54796892
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC Name3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline
SMILESCc1ccc(C(C)C)c(OCCNc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C18H21Cl2NO/c1-12(2)17-5-4-13(3)8-18(17)22-7-6-21-16-10-14(19)9-15(20)11-16/h4-5,8-12,21H,6-7H2,1-3H3
InChIKeyGFSHZBHPRLCPEP-UHFFFAOYSA-N
XLogP5.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.28
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-ethoxyethoxy)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline
CID 54801159
N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800197
3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63506069
3-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4136006
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
CID 55195145
5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine
CID 63504935
methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
CID 4280995
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
3-chloro-N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoroaniline
CID 54798350
N-[3-(2-chloro-5-methylphenoxy)propyl]aniline
CID 62597720
1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
CID 62571514
butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium
CID 2581375

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline?
The IUPAC name of 3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline (CID 54796892) is 3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline is Cc1ccc(C(C)C)c(OCCNc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline?
The InChIKey is GFSHZBHPRLCPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO/c1-12(2)17-5-4-13(3)8-18(17)22-7-6-21-16-10-14(19)9-15(20)11-16/h4-5,8-12,21H,6-7H2,1-3H3.
What are the key properties of 3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline?
3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline has a molecular weight of 338.28 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline is sourced from PubChem (CID 54796892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).