2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline

C17H21NO — CID 82132130

IUPAC2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline
SMILESCc1ccccc1COc1ccc(C(C)C)cc1N
InChIInChI=1S/C17H21NO/c1-12(2)14-8-9-17(16(18)10-14)19-11-15-7-5-4-6-13(15)3/h4-10,12H,11,18H2,1-3H3
InChIKeyDYUPZVVLIMQDAE-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.28
Rot. Bonds4

About 2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline

2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline (PubChem CID 82132130) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline.

Molecular Properties

Compound Name2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline
PubChem CID82132130
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline
SMILESCc1ccccc1COc1ccc(C(C)C)cc1N
InChIInChI=1S/C17H21NO/c1-12(2)14-8-9-17(16(18)10-14)19-11-15-7-5-4-6-13(15)3/h4-10,12H,11,18H2,1-3H3
InChIKeyDYUPZVVLIMQDAE-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline
CID 82134354
2-(2-phenylethoxy)-5-propan-2-ylaniline
CID 54853034
[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol
CID 141427113
3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55076540
5-propan-2-yl-2-prop-2-enoxyaniline
CID 54852954
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 63366646
2-[(2-methylphenoxy)methyl]aniline
CID 21191823
2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide
CID 61034967
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 78931579

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline?
The IUPAC name of 2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline (CID 82132130) is 2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline.
What is the SMILES notation for 2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline?
The canonical SMILES for 2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline is Cc1ccccc1COc1ccc(C(C)C)cc1N.
What is the InChIKey of 2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline?
The InChIKey is DYUPZVVLIMQDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12(2)14-8-9-17(16(18)10-14)19-11-15-7-5-4-6-13(15)3/h4-10,12H,11,18H2,1-3H3.
What are the key properties of 2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline?
2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline is sourced from PubChem (CID 82132130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).