N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline

C18H24N2O — CID 62018373

IUPACN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline
SMILESCOc1ccc(CN)cc1CN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C18H24N2O/c1-13-7-14(2)9-17(8-13)20(3)12-16-10-15(11-19)5-6-18(16)21-4/h5-10H,11-12,19H2,1-4H3
InChIKeyVNUWLGGTCIELLD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.41
Rot. Bonds5

About N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline (PubChem CID 62018373) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline
PubChem CID62018373
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline
SMILESCOc1ccc(CN)cc1CN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C18H24N2O/c1-13-7-14(2)9-17(8-13)20(3)12-16-10-15(11-19)5-6-18(16)21-4/h5-10H,11-12,19H2,1-4H3
InChIKeyVNUWLGGTCIELLD-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-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
CID 62018742
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 106785440
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline
CID 62018180
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline
CID 62971006
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62019115
2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol
CID 113425969
4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
CID 43275566
4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol
CID 104667284

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline?
The IUPAC name of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline (CID 62018373) is N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline.
What is the SMILES notation for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline?
The canonical SMILES for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline is COc1ccc(CN)cc1CN(C)c1cc(C)cc(C)c1.
What is the InChIKey of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline?
The InChIKey is VNUWLGGTCIELLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-7-14(2)9-17(8-13)20(3)12-16-10-15(11-19)5-6-18(16)21-4/h5-10H,11-12,19H2,1-4H3.
What are the key properties of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline?
N-[[5-(aminomethyl)-2-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-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline is sourced from PubChem (CID 62018373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).