2-imino-N-[(4-methoxyphenyl)methyl]ethanamine

C10H14N2O — CID 178177456

IUPAC2-imino-N-[(4-methoxyphenyl)methyl]ethanamine
SMILES[H]/N=C/CNCc1ccc(OC)cc1
InChIInChI=1S/C10H14N2O/c1-13-10-4-2-9(3-5-10)8-12-7-6-11/h2-6,11-12H,7-8H2,1H3/b11-6+
InChIKeyRRKPGUYWUXRQFD-IZZDOVSWSA-N
MW178.24 g/mol
LogP1.43
Rot. Bonds5

About 2-imino-N-[(4-methoxyphenyl)methyl]ethanamine

2-imino-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 178177456) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-imino-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-imino-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID178177456
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-imino-N-[(4-methoxyphenyl)methyl]ethanamine
SMILES[H]/N=C/CNCc1ccc(OC)cc1
InChIInChI=1S/C10H14N2O/c1-13-10-4-2-9(3-5-10)8-12-7-6-11/h2-6,11-12H,7-8H2,1H3/b11-6+
InChIKeyRRKPGUYWUXRQFD-IZZDOVSWSA-N
XLogP1.43
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 17291776
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
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
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223
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
2-[(4-methoxyphenyl)methylamino]ethanethiol
CID 14306201
N-(hydrazinylmethyl)-1-(4-methoxyphenyl)methanamine
CID 115260736
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-imino-N-[(4-methoxyphenyl)methyl]ethanamine (CID 178177456) is 2-imino-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-imino-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-imino-N-[(4-methoxyphenyl)methyl]ethanamine is [H]/N=C/CNCc1ccc(OC)cc1.
What is the InChIKey of 2-imino-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is RRKPGUYWUXRQFD-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H14N2O/c1-13-10-4-2-9(3-5-10)8-12-7-6-11/h2-6,11-12H,7-8H2,1H3/b11-6+.
What are the key properties of 2-imino-N-[(4-methoxyphenyl)methyl]ethanamine?
2-imino-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 178.24 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 178177456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).