N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine

C14H22N2O — CID 62554444

IUPACN'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)Cc1ccccc1OC
InChIInChI=1S/C14H22N2O/c1-4-9-15-10-11-16(2)12-13-7-5-6-8-14(13)17-3/h4-8,15H,1,9-12H2,2-3H3
InChIKeyGRZLXQBDRGAZAK-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.90
Rot. Bonds8

About N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine

N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine (PubChem CID 62554444) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
PubChem CID62554444
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)Cc1ccccc1OC
InChIInChI=1S/C14H22N2O/c1-4-9-15-10-11-16(2)12-13-7-5-6-8-14(13)17-3/h4-8,15H,1,9-12H2,2-3H3
InChIKeyGRZLXQBDRGAZAK-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435578
N-[(2-methoxyphenyl)methyl]prop-2-en-1-amine
CID 4722320
3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79279066
N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62555090
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide
CID 94015388
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 55070560
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 2244886
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea
CID 110901111
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine (CID 62554444) is N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine is C=CCNCCN(C)Cc1ccccc1OC.
What is the InChIKey of N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine?
The InChIKey is GRZLXQBDRGAZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-9-15-10-11-16(2)12-13-7-5-6-8-14(13)17-3/h4-8,15H,1,9-12H2,2-3H3.
What are the key properties of N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine?
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 62554444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).