N'-[2-(4-methoxyphenyl)ethyl]methanediamine

C10H16N2O — CID 115226003

IUPACN'-[2-(4-methoxyphenyl)ethyl]methanediamine
SMILESCOc1ccc(CCNCN)cc1
InChIInChI=1S/C10H16N2O/c1-13-10-4-2-9(3-5-10)6-7-12-8-11/h2-5,12H,6-8,11H2,1H3
InChIKeyKNMYFCVPXPNEHC-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.74
Rot. Bonds5

About N'-[2-(4-methoxyphenyl)ethyl]methanediamine

N'-[2-(4-methoxyphenyl)ethyl]methanediamine (PubChem CID 115226003) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)ethyl]methanediamine.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)ethyl]methanediamine
PubChem CID115226003
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN'-[2-(4-methoxyphenyl)ethyl]methanediamine
SMILESCOc1ccc(CCNCN)cc1
InChIInChI=1S/C10H16N2O/c1-13-10-4-2-9(3-5-10)6-7-12-8-11/h2-5,12H,6-8,11H2,1H3
InChIKeyKNMYFCVPXPNEHC-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115244276
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115245897
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940
N-[[4-(chloromethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 107232979
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
3-[2-(4-methoxyphenyl)ethylamino]propanenitrile
CID 43082695

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]methanediamine?
The IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]methanediamine (CID 115226003) is N'-[2-(4-methoxyphenyl)ethyl]methanediamine.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)ethyl]methanediamine?
The canonical SMILES for N'-[2-(4-methoxyphenyl)ethyl]methanediamine is COc1ccc(CCNCN)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)ethyl]methanediamine?
The InChIKey is KNMYFCVPXPNEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-13-10-4-2-9(3-5-10)6-7-12-8-11/h2-5,12H,6-8,11H2,1H3.
What are the key properties of N'-[2-(4-methoxyphenyl)ethyl]methanediamine?
N'-[2-(4-methoxyphenyl)ethyl]methanediamine has a molecular weight of 180.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)ethyl]methanediamine is sourced from PubChem (CID 115226003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).