[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium

C16H18NO2+ — CID 22965611

IUPAC[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium
SMILESC=[O+]c1ccc(CNCc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H18NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,1,11-12H2,2H3/q+1
InChIKeyRMNQYUAUYCLFKF-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.06
Rot. Bonds6

About [4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium

[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium (PubChem CID 22965611) has the molecular formula C16H18NO2+ and a molecular weight of 256.32 g/mol. Its IUPAC name is [4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium.

Molecular Properties

Compound Name[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium
PubChem CID22965611
Molecular FormulaC16H18NO2+
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium
SMILESC=[O+]c1ccc(CNCc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H18NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,1,11-12H2,2H3/q+1
InChIKeyRMNQYUAUYCLFKF-UHFFFAOYSA-N
XLogP3.06
TPSA32.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
[4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium
CID 91412865
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
CID 142914034
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 17291776
1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451224

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium?
The IUPAC name of [4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium (CID 22965611) is [4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium.
What is the SMILES notation for [4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium?
The canonical SMILES for [4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium is C=[O+]c1ccc(CNCc2ccc(OC)cc2)cc1.
What is the InChIKey of [4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium?
The InChIKey is RMNQYUAUYCLFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,1,11-12H2,2H3/q+1.
What are the key properties of [4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium?
[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium has a molecular weight of 256.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium is sourced from PubChem (CID 22965611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).