4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline

C17H26N2O — CID 84750377

IUPAC4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(CNC)cc1OC(C)C
InChIInChI=1S/C17H26N2O/c1-6-10-19(11-7-2)16-9-8-15(13-18-5)12-17(16)20-14(3)4/h6-9,12,14,18H,1-2,10-11,13H2,3-5H3
InChIKeyOPKVIPDAKPZQNN-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.37
Rot. Bonds9

About 4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline

4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline (PubChem CID 84750377) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline
PubChem CID84750377
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(CNC)cc1OC(C)C
InChIInChI=1S/C17H26N2O/c1-6-10-19(11-7-2)16-9-8-15(13-18-5)12-17(16)20-14(3)4/h6-9,12,14,18H,1-2,10-11,13H2,3-5H3
InChIKeyOPKVIPDAKPZQNN-UHFFFAOYSA-N
XLogP3.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline
CID 84750306
2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline
CID 84754425
2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline
CID 84749223
2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline
CID 84749230
N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline
CID 84750453
4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
CID 84750211
3-[N-methyl-2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]anilino]propanoic acid
CID 84750659
2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline
CID 84754258
2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol
CID 84750416
N-methyl-1-(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methanamine
CID 84750300
2-methoxy-N,N-dimethyl-4-(methylaminomethyl)aniline
CID 84754595
N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide
CID 102704691

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline?
The IUPAC name of 4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline (CID 84750377) is 4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline.
What is the SMILES notation for 4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline?
The canonical SMILES for 4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline is C=CCN(CC=C)c1ccc(CNC)cc1OC(C)C.
What is the InChIKey of 4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline?
The InChIKey is OPKVIPDAKPZQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-6-10-19(11-7-2)16-9-8-15(13-18-5)12-17(16)20-14(3)4/h6-9,12,14,18H,1-2,10-11,13H2,3-5H3.
What are the key properties of 4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline?
4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline has a molecular weight of 274.41 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline is sourced from PubChem (CID 84750377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).