2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine

C13H18N2O — CID 155148654

IUPAC2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine
SMILESC=CCN(CC=C)c1ccc(N)cc1OC
InChIInChI=1S/C13H18N2O/c1-4-8-15(9-5-2)12-7-6-11(14)10-13(12)16-3/h4-7,10H,1-2,8-9,14H2,3H3
InChIKeyKYBXAVCFZZCGHG-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.46
Rot. Bonds6

About 2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine

2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine (PubChem CID 155148654) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine
PubChem CID155148654
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine
SMILESC=CCN(CC=C)c1ccc(N)cc1OC
InChIInChI=1S/C13H18N2O/c1-4-8-15(9-5-2)12-7-6-11(14)10-13(12)16-3/h4-7,10H,1-2,8-9,14H2,3H3
InChIKeyKYBXAVCFZZCGHG-UHFFFAOYSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide
CID 155148680
2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline
CID 84754425
3-(2,4-dimethoxy-N-prop-2-enylanilino)propanoic acid
CID 82317570
4-methoxy-3-(prop-2-enoxymethyl)aniline
CID 53363952
4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine
CID 56831517
2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline
CID 113388926
1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone
CID 113388829
2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine
CID 143337427
3-N,3-N-bis(prop-2-enyl)benzene-1,3-diamine
CID 70485777
1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine
CID 170172640
4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466272
4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline
CID 84750377

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine?
The IUPAC name of 2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine (CID 155148654) is 2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine is C=CCN(CC=C)c1ccc(N)cc1OC.
What is the InChIKey of 2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine?
The InChIKey is KYBXAVCFZZCGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-8-15(9-5-2)12-7-6-11(14)10-13(12)16-3/h4-7,10H,1-2,8-9,14H2,3H3.
What are the key properties of 2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine?
2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine has a molecular weight of 218.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine is sourced from PubChem (CID 155148654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).