N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline

C19H25NO — CID 63453225

IUPACN-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
SMILESCCc1ccccc1CNc1ccccc1OCC(C)C
InChIInChI=1S/C19H25NO/c1-4-16-9-5-6-10-17(16)13-20-18-11-7-8-12-19(18)21-14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyJDXIJHMFMKNZIQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.90
Rot. Bonds7

About N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline

N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline (PubChem CID 63453225) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
PubChem CID63453225
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
SMILESCCc1ccccc1CNc1ccccc1OCC(C)C
InChIInChI=1S/C19H25NO/c1-4-16-9-5-6-10-17(16)13-20-18-11-7-8-12-19(18)21-14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyJDXIJHMFMKNZIQ-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-methylbutoxy)phenyl]methyl]-2-(2-methylpropoxy)aniline
CID 54800105
N-[(2-ethylphenyl)methyl]-2-methoxyaniline
CID 62391032
2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline
CID 54864900
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 79579422
4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39384019
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
CID 47264632
2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54798124
2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 55125784
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39422604

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline?
The IUPAC name of N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline (CID 63453225) is N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline is CCc1ccccc1CNc1ccccc1OCC(C)C.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline?
The InChIKey is JDXIJHMFMKNZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-16-9-5-6-10-17(16)13-20-18-11-7-8-12-19(18)21-14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline?
N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline has a molecular weight of 283.42 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline is sourced from PubChem (CID 63453225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).