N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline

C19H23NO — CID 79968881

IUPACN-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NCc1cccc(C2CC2)c1
InChIInChI=1S/C19H23NO/c1-2-21-14-18-7-3-4-9-19(18)20-13-15-6-5-8-17(12-15)16-10-11-16/h3-9,12,16,20H,2,10-11,13-14H2,1H3
InChIKeyQSISKGIJUYVTAS-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.71
Rot. Bonds7

About N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline

N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline (PubChem CID 79968881) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline
PubChem CID79968881
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NCc1cccc(C2CC2)c1
InChIInChI=1S/C19H23NO/c1-2-21-14-18-7-3-4-9-19(18)20-13-15-6-5-8-17(12-15)16-10-11-16/h3-9,12,16,20H,2,10-11,13-14H2,1H3
InChIKeyQSISKGIJUYVTAS-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43750320
2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62759362
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
CID 79832570
N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline
CID 79970343
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline
CID 43750279
2-bromo-6-[[2-(ethoxymethyl)anilino]methyl]phenol
CID 61391843
2-(ethoxymethyl)-N-(2-phenylethyl)aniline
CID 43750318
2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 103720558
N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 60874269
2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline
CID 79707928
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline
CID 78883027

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline?
The IUPAC name of N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline (CID 79968881) is N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline.
What is the SMILES notation for N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline?
The canonical SMILES for N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline is CCOCc1ccccc1NCc1cccc(C2CC2)c1.
What is the InChIKey of N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline?
The InChIKey is QSISKGIJUYVTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-21-14-18-7-3-4-9-19(18)20-13-15-6-5-8-17(12-15)16-10-11-16/h3-9,12,16,20H,2,10-11,13-14H2,1H3.
What are the key properties of N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline?
N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline has a molecular weight of 281.40 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline is sourced from PubChem (CID 79968881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).