N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline

C18H24N2O — CID 106785440

IUPACN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline
SMILESCOc1cc(CN(C)c2cc(C)cc(C)c2)ccc1CN
InChIInChI=1S/C18H24N2O/c1-13-7-14(2)9-17(8-13)20(3)12-15-5-6-16(11-19)18(10-15)21-4/h5-10H,11-12,19H2,1-4H3
InChIKeyRJZKPGURLVBHIA-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.41
Rot. Bonds5

About N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline

N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline (PubChem CID 106785440) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline
PubChem CID106785440
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline
SMILESCOc1cc(CN(C)c2cc(C)cc(C)c2)ccc1CN
InChIInChI=1S/C18H24N2O/c1-13-7-14(2)9-17(8-13)20(3)12-15-5-6-16(11-19)18(10-15)21-4/h5-10H,11-12,19H2,1-4H3
InChIKeyRJZKPGURLVBHIA-UHFFFAOYSA-N
XLogP3.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
CID 106785439
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 62018373
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 106785478
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
CID 62018742
[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785290
[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine
CID 106785650
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
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 106785394
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 106785505

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline?
The IUPAC name of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline (CID 106785440) is N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline.
What is the SMILES notation for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline?
The canonical SMILES for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline is COc1cc(CN(C)c2cc(C)cc(C)c2)ccc1CN.
What is the InChIKey of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline?
The InChIKey is RJZKPGURLVBHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-7-14(2)9-17(8-13)20(3)12-15-5-6-16(11-19)18(10-15)21-4/h5-10H,11-12,19H2,1-4H3.
What are the key properties of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline?
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline has a molecular weight of 284.40 g/mol, XLogP of 3.41, 5 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]-N,3,5-trimethylaniline is sourced from PubChem (CID 106785440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).