N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline

C19H23NO — CID 79970343

IUPACN-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline
SMILESCCOc1ccc(NCc2cccc(C3CC3)c2)c(C)c1
InChIInChI=1S/C19H23NO/c1-3-21-18-9-10-19(14(2)11-18)20-13-15-5-4-6-17(12-15)16-7-8-16/h4-6,9-12,16,20H,3,7-8,13H2,1-2H3
InChIKeyJKEPZNJKPQYNLH-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.88
Rot. Bonds6

About N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline

N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline (PubChem CID 79970343) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline
PubChem CID79970343
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline
SMILESCCOc1ccc(NCc2cccc(C3CC3)c2)c(C)c1
InChIInChI=1S/C19H23NO/c1-3-21-18-9-10-19(14(2)11-18)20-13-15-5-4-6-17(12-15)16-7-8-16/h4-6,9-12,16,20H,3,7-8,13H2,1-2H3
InChIKeyJKEPZNJKPQYNLH-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865409
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline
CID 79979115
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558
2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
CID 104725967
2-bromo-4-[(4-ethoxy-2-methylanilino)methyl]phenol
CID 60962099
N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline
CID 79968881
N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
CID 115523834
4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
CID 54865375
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 114936663

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline?
The IUPAC name of N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline (CID 79970343) is N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline.
What is the SMILES notation for N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline?
The canonical SMILES for N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline is CCOc1ccc(NCc2cccc(C3CC3)c2)c(C)c1.
What is the InChIKey of N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline?
The InChIKey is JKEPZNJKPQYNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-21-18-9-10-19(14(2)11-18)20-13-15-5-4-6-17(12-15)16-7-8-16/h4-6,9-12,16,20H,3,7-8,13H2,1-2H3.
What are the key properties of N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline?
N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline has a molecular weight of 281.40 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline is sourced from PubChem (CID 79970343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).