4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline

C18H24N2O — CID 43574952

IUPAC4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline
SMILESCCOc1ccc(N)cc1CN(C)Cc1ccccc1C
InChIInChI=1S/C18H24N2O/c1-4-21-18-10-9-17(19)11-16(18)13-20(3)12-15-8-6-5-7-14(15)2/h5-11H,4,12-13,19H2,1-3H3
InChIKeyWQQRVOQJSVYPPV-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.61
Rot. Bonds6

About 4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline

4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline (PubChem CID 43574952) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline
PubChem CID43574952
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline
SMILESCCOc1ccc(N)cc1CN(C)Cc1ccccc1C
InChIInChI=1S/C18H24N2O/c1-4-21-18-10-9-17(19)11-16(18)13-20(3)12-15-8-6-5-7-14(15)2/h5-11H,4,12-13,19H2,1-3H3
InChIKeyWQQRVOQJSVYPPV-UHFFFAOYSA-N
XLogP3.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 43373771
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CID 12703368
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CID 82129969
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline
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4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 61431598
3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
CID 43247150
3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethoxyaniline
CID 55007073
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364
5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 80725020
4-ethoxy-3-[(4-methylphenyl)sulfanylmethyl]aniline
CID 43260271
4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
CID 61419975
3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 63955929

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline?
The IUPAC name of 4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline (CID 43574952) is 4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline.
What is the SMILES notation for 4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline?
The canonical SMILES for 4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline is CCOc1ccc(N)cc1CN(C)Cc1ccccc1C.
What is the InChIKey of 4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline?
The InChIKey is WQQRVOQJSVYPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-21-18-10-9-17(19)11-16(18)13-20(3)12-15-8-6-5-7-14(15)2/h5-11H,4,12-13,19H2,1-3H3.
What are the key properties of 4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline?
4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline has a molecular weight of 284.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline is sourced from PubChem (CID 43574952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).