N-[2-(3-methylphenoxy)ethyl]aniline

C15H17NO — CID 54796212

IUPACN-[2-(3-methylphenoxy)ethyl]aniline
SMILESCc1cccc(OCCNc2ccccc2)c1
InChIInChI=1S/C15H17NO/c1-13-6-5-9-15(12-13)17-11-10-16-14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3
InChIKeyDUCVJZLGBWPVSI-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.49
Rot. Bonds5

About N-[2-(3-methylphenoxy)ethyl]aniline

N-[2-(3-methylphenoxy)ethyl]aniline (PubChem CID 54796212) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]aniline
PubChem CID54796212
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-[2-(3-methylphenoxy)ethyl]aniline
SMILESCc1cccc(OCCNc2ccccc2)c1
InChIInChI=1S/C15H17NO/c1-13-6-5-9-15(12-13)17-11-10-16-14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3
InChIKeyDUCVJZLGBWPVSI-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.49
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

N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915
3-[2-(3-methylphenoxy)ethylamino]benzoic acid
CID 82096040
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
CID 54801279
N-[2-(3,5-dimethylphenoxy)ethyl]-4-phenoxyaniline
CID 54796472
N-[3-(3-ethoxyphenoxy)propyl]aniline
CID 62584936
5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine
CID 55012619
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659
5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 113286019
3-butoxy-N-[2-(3,5-dimethylphenoxy)ethyl]aniline
CID 54800670

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]aniline?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]aniline (CID 54796212) is N-[2-(3-methylphenoxy)ethyl]aniline.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]aniline?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]aniline is Cc1cccc(OCCNc2ccccc2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]aniline?
The InChIKey is DUCVJZLGBWPVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-13-6-5-9-15(12-13)17-11-10-16-14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3.
What are the key properties of N-[2-(3-methylphenoxy)ethyl]aniline?
N-[2-(3-methylphenoxy)ethyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 54796212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).