N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine

C17H20N4O — CID 53231679

IUPACN-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2cccc(CN=[N+]=[N-])c2)cc1
InChIInChI=1S/C17H20N4O/c1-21(12-14-6-8-17(22-2)9-7-14)13-16-5-3-4-15(10-16)11-19-20-18/h3-10H,11-13H2,1-2H3
InChIKeyZDHDVPSKTNTBEK-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.14
Rot. Bonds7

About N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine

N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine (PubChem CID 53231679) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
PubChem CID53231679
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2cccc(CN=[N+]=[N-])c2)cc1
InChIInChI=1S/C17H20N4O/c1-21(12-14-6-8-17(22-2)9-7-14)13-16-5-3-4-15(10-16)11-19-20-18/h3-10H,11-13H2,1-2H3
InChIKeyZDHDVPSKTNTBEK-UHFFFAOYSA-N
XLogP4.14
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-[[[3-(azidomethyl)phenyl]methyl-methylamino]methyl]-N,N-dimethylaniline
CID 53231787
N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine
CID 53231791
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
1-(azidomethyl)-3-(2-methoxyethyl)benzene
CID 117109154
N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 143173593
N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 177179048
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
1-(azidomethyl)-3-methylbenzene
CID 2736816
[3-(azidomethyl)phenyl]methanamine
CID 150198428
[3-(azidomethyl)phenoxy]-trimethylsilane
CID 150826062
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
1-(azidomethyl)-2,4-dimethoxybenzene
CID 14217595

Frequently Asked Questions

What is the IUPAC name of N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine (CID 53231679) is N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine is COc1ccc(CN(C)Cc2cccc(CN=[N+]=[N-])c2)cc1.
What is the InChIKey of N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is ZDHDVPSKTNTBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-21(12-14-6-8-17(22-2)9-7-14)13-16-5-3-4-15(10-16)11-19-20-18/h3-10H,11-13H2,1-2H3.
What are the key properties of N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 296.37 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 53231679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).