N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline

C18H23NO — CID 54799793

IUPACN-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline
SMILESCc1ccccc1CCNc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H23NO/c1-14(2)20-18-10-8-17(9-11-18)19-13-12-16-7-5-4-6-15(16)3/h4-11,14,19H,12-13H2,1-3H3
InChIKeyZEYDKJFPNPMCIN-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.44
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline

N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline (PubChem CID 54799793) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline
PubChem CID54799793
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline
SMILESCc1ccccc1CCNc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H23NO/c1-14(2)20-18-10-8-17(9-11-18)19-13-12-16-7-5-4-6-15(16)3/h4-11,14,19H,12-13H2,1-3H3
InChIKeyZEYDKJFPNPMCIN-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 54807564
4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763749
4-hexoxy-N-[2-(2-methylphenyl)ethyl]aniline
CID 54798890
N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809939
3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline
CID 54803067
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112873973
1-[(2-methylphenyl)methyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100590551
2-(4-methylphenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114534
4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline
CID 60863119
2-methyl-1-[(2-methylphenyl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111862660
N-(2-phenylsulfanylethyl)-4-propan-2-yloxyaniline
CID 79213159

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline (CID 54799793) is N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline is Cc1ccccc1CCNc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline?
The InChIKey is ZEYDKJFPNPMCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)20-18-10-8-17(9-11-18)19-13-12-16-7-5-4-6-15(16)3/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline?
N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline has a molecular weight of 269.39 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 54799793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).