3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline

C19H25NO — CID 63505257

IUPAC3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline
SMILESCc1cccc(NCCOc2ccc(C(C)C)c(C)c2)c1
InChIInChI=1S/C19H25NO/c1-14(2)19-9-8-18(13-16(19)4)21-11-10-20-17-7-5-6-15(3)12-17/h5-9,12-14,20H,10-11H2,1-4H3
InChIKeyXQSDYUBLXNOJJN-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.92
Rot. Bonds6

About 3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline

3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline (PubChem CID 63505257) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline
PubChem CID63505257
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline
SMILESCc1cccc(NCCOc2ccc(C(C)C)c(C)c2)c1
InChIInChI=1S/C19H25NO/c1-14(2)19-9-8-18(13-16(19)4)21-11-10-20-17-7-5-6-15(3)12-17/h5-9,12-14,20H,10-11H2,1-4H3
InChIKeyXQSDYUBLXNOJJN-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.92
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-(4-bromo-3-methylphenoxy)ethyl]-3-methylaniline
CID 83140916
N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
N-[2-(3,4-dimethylphenoxy)ethyl]-3-fluoroaniline
CID 62571045
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 60690385
N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802477
formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 144783373
N-[2-(4-chloro-3-ethylphenoxy)ethyl]-3-methylaniline
CID 63517337
(2S)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 2182357

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline?
The IUPAC name of 3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline (CID 63505257) is 3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline.
What is the SMILES notation for 3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline?
The canonical SMILES for 3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline is Cc1cccc(NCCOc2ccc(C(C)C)c(C)c2)c1.
What is the InChIKey of 3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline?
The InChIKey is XQSDYUBLXNOJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)19-9-8-18(13-16(19)4)21-11-10-20-17-7-5-6-15(3)12-17/h5-9,12-14,20H,10-11H2,1-4H3.
What are the key properties of 3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline?
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline has a molecular weight of 283.41 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline is sourced from PubChem (CID 63505257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).