N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline

C18H24N2O — CID 106785439

IUPACN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
SMILESCCc1ccc(N(C)Cc2ccc(CN)c(OC)c2)cc1
InChIInChI=1S/C18H24N2O/c1-4-14-6-9-17(10-7-14)20(2)13-15-5-8-16(12-19)18(11-15)21-3/h5-11H,4,12-13,19H2,1-3H3
InChIKeyWKHPQNWNBULKSZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.35
Rot. Bonds6

About N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline

N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline (PubChem CID 106785439) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
PubChem CID106785439
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
SMILESCCc1ccc(N(C)Cc2ccc(CN)c(OC)c2)cc1
InChIInChI=1S/C18H24N2O/c1-4-14-6-9-17(10-7-14)20(2)13-15-5-8-16(12-19)18(11-15)21-3/h5-11H,4,12-13,19H2,1-3H3
InChIKeyWKHPQNWNBULKSZ-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 106785440
4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
CID 81273319
4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
CID 43275566
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
CID 62018742
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 106785478
[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785290
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline
CID 62971006
[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785236
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785291
5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline
CID 62003419
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 106785394
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline?
The IUPAC name of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline (CID 106785439) is N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline.
What is the SMILES notation for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline?
The canonical SMILES for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline is CCc1ccc(N(C)Cc2ccc(CN)c(OC)c2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline?
The InChIKey is WKHPQNWNBULKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-14-6-9-17(10-7-14)20(2)13-15-5-8-16(12-19)18(11-15)21-3/h5-11H,4,12-13,19H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline?
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline has a molecular weight of 284.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline is sourced from PubChem (CID 106785439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).