N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline

C17H21NO — CID 60679438

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
SMILESCc1cc(C)cc(OCCNc2ccccc2C)c1
InChIInChI=1S/C17H21NO/c1-13-10-14(2)12-16(11-13)19-9-8-18-17-7-5-4-6-15(17)3/h4-7,10-12,18H,8-9H2,1-3H3
InChIKeyDWJSSNCJBSBDIX-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.10
Rot. Bonds5

About N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline

N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline (PubChem CID 60679438) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
PubChem CID60679438
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
SMILESCc1cc(C)cc(OCCNc2ccccc2C)c1
InChIInChI=1S/C17H21NO/c1-13-10-14(2)12-16(11-13)19-9-8-18-17-7-5-4-6-15(17)3/h4-7,10-12,18H,8-9H2,1-3H3
InChIKeyDWJSSNCJBSBDIX-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
2-butoxy-N-[2-(3,5-dimethylphenoxy)ethyl]aniline
CID 54801700
N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
CID 62584415
N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
CID 62572300
N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
CID 62572127
2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline
CID 63505898
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline
CID 82726941
N-[2-(2-methoxyphenoxy)ethyl]-2-methylaniline
CID 62570750
N-[2-(3,5-dimethylphenoxy)ethyl]-4-phenoxyaniline
CID 54796472
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-2-methylaniline
CID 79407221

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline (CID 60679438) is N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline is Cc1cc(C)cc(OCCNc2ccccc2C)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline?
The InChIKey is DWJSSNCJBSBDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-10-14(2)12-16(11-13)19-9-8-18-17-7-5-4-6-15(17)3/h4-7,10-12,18H,8-9H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline?
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline is sourced from PubChem (CID 60679438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).