4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline

C19H25NO — CID 39384019

IUPAC4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCCc1ccc(NCc2ccccc2OCC(C)C)cc1
InChIInChI=1S/C19H25NO/c1-4-16-9-11-18(12-10-16)20-13-17-7-5-6-8-19(17)21-14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyWRZBOCSCQZNACN-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.90
Rot. Bonds7

About 4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline

4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline (PubChem CID 39384019) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
PubChem CID39384019
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCCc1ccc(NCc2ccccc2OCC(C)C)cc1
InChIInChI=1S/C19H25NO/c1-4-16-9-11-18(12-10-16)20-13-17-7-5-6-8-19(17)21-14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyWRZBOCSCQZNACN-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-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 63453225
N-[[2-(2-methylpropoxy)phenyl]methyl]pyridin-2-amine
CID 133271435
1-[[2-(2-methylpropoxy)phenyl]methyl]-2-phenylhydrazine
CID 169385411
2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39418717
N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline
CID 43769045
[2-[(4-ethylanilino)methyl]phenyl] benzenesulfonate
CID 126119940
N-[[2-[(4-ethylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63500787
N-[[2-(2-methylpropoxy)phenyl]methyl]butan-1-amine
CID 54797416
4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39422587
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-(2-methylpropoxy)aniline
CID 54800105
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
4-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39357777

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The IUPAC name of 4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline (CID 39384019) is 4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline.
What is the SMILES notation for 4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The canonical SMILES for 4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline is CCc1ccc(NCc2ccccc2OCC(C)C)cc1.
What is the InChIKey of 4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The InChIKey is WRZBOCSCQZNACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-16-9-11-18(12-10-16)20-13-17-7-5-6-8-19(17)21-14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3.
What are the key properties of 4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]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 4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline is sourced from PubChem (CID 39384019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).