2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline

C19H30N2O — CID 84754425

IUPAC2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(CNCCC(C)C)cc1OC
InChIInChI=1S/C19H30N2O/c1-6-12-21(13-7-2)18-9-8-17(14-19(18)22-5)15-20-11-10-16(3)4/h6-9,14,16,20H,1-2,10-13,15H2,3-5H3
InChIKeyFXZAKGMODOPTFQ-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.01
Rot. Bonds11

About 2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline

2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline (PubChem CID 84754425) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline
PubChem CID84754425
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(CNCCC(C)C)cc1OC
InChIInChI=1S/C19H30N2O/c1-6-12-21(13-7-2)18-9-8-17(14-19(18)22-5)15-20-11-10-16(3)4/h6-9,14,16,20H,1-2,10-13,15H2,3-5H3
InChIKeyFXZAKGMODOPTFQ-UHFFFAOYSA-N
XLogP4.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.01
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline
CID 84749223
4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline
CID 84750377
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743
2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline
CID 84749230
N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 29223820
2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine
CID 155148654
N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17210603
2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline
CID 84754564
4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline
CID 84754251
N-[[3-methoxy-4-[[3-[[2-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-3-methylbutan-1-amine
CID 44531084
N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84754259
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 61483916

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline?
The IUPAC name of 2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline (CID 84754425) is 2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline.
What is the SMILES notation for 2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline?
The canonical SMILES for 2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline is C=CCN(CC=C)c1ccc(CNCCC(C)C)cc1OC.
What is the InChIKey of 2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline?
The InChIKey is FXZAKGMODOPTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-6-12-21(13-7-2)18-9-8-17(14-19(18)22-5)15-20-11-10-16(3)4/h6-9,14,16,20H,1-2,10-13,15H2,3-5H3.
What are the key properties of 2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline?
2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline has a molecular weight of 302.46 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline is sourced from PubChem (CID 84754425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).