4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine

C17H25NO — CID 2267298

IUPAC4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine
SMILESC=CCN(CC=C)CCCCOc1cccc(C)c1
InChIInChI=1S/C17H25NO/c1-4-11-18(12-5-2)13-6-7-14-19-17-10-8-9-16(3)15-17/h4-5,8-10,15H,1-2,6-7,11-14H2,3H3
InChIKeyQRRJKZZAEBXBLD-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.83
Rot. Bonds10

About 4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine

4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine (PubChem CID 2267298) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine
PubChem CID2267298
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine
SMILESC=CCN(CC=C)CCCCOc1cccc(C)c1
InChIInChI=1S/C17H25NO/c1-4-11-18(12-5-2)13-6-7-14-19-17-10-8-9-16(3)15-17/h4-5,8-10,15H,1-2,6-7,11-14H2,3H3
InChIKeyQRRJKZZAEBXBLD-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline
CID 140979271
4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine
CID 68645781
N-butan-2-yl-N-ethyl-4-(3-methylphenoxy)butan-1-amine
CID 20829003
5-(3-methylphenoxy)pentoxyphosphane
CID 175344008
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
4-(3-methylphenoxy)butoxyphosphane;hydrobromide
CID 174049050
(E)-3-[3-[2-[hexyl(prop-2-enyl)amino]ethoxy]phenyl]prop-2-enoic acid
CID 39102843

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine?
The IUPAC name of 4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine (CID 2267298) is 4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine.
What is the SMILES notation for 4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine?
The canonical SMILES for 4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine is C=CCN(CC=C)CCCCOc1cccc(C)c1.
What is the InChIKey of 4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine?
The InChIKey is QRRJKZZAEBXBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-11-18(12-5-2)13-6-7-14-19-17-10-8-9-16(3)15-17/h4-5,8-10,15H,1-2,6-7,11-14H2,3H3.
What are the key properties of 4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine?
4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine is sourced from PubChem (CID 2267298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).