4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine

C13H19NO — CID 170495663

IUPAC4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine
SMILESCNCCC=Cc1ccc(OC)c(C)c1
InChIInChI=1S/C13H19NO/c1-11-10-12(6-4-5-9-14-2)7-8-13(11)15-3/h4,6-8,10,14H,5,9H2,1-3H3
InChIKeyLTBGLBJRFVLIKM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.63
Rot. Bonds5

About 4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine

4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine (PubChem CID 170495663) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine
PubChem CID170495663
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine
SMILESCNCCC=Cc1ccc(OC)c(C)c1
InChIInChI=1S/C13H19NO/c1-11-10-12(6-4-5-9-14-2)7-8-13(11)15-3/h4,6-8,10,14H,5,9H2,1-3H3
InChIKeyLTBGLBJRFVLIKM-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxy-3-methylphenyl)but-3-ene-1-thiol
CID 170478221
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
3-(4-methoxy-3-methylphenyl)prop-2-ene-1-thiol
CID 169455055
4-(4-chlorobut-1-enyl)-2-methoxy-1-methylbenzene
CID 170499056
4-(3,4-dimethoxyphenyl)-N-propylbut-3-en-1-amine
CID 79593408
tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate
CID 169467402
4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine
CID 79592282
(E)-3-(3-methoxy-4-methylphenyl)prop-2-enal;(E)-3-(4-methoxy-3-methylphenyl)prop-2-enal
CID 161195090
1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
CID 12892889
4-(4-fluoro-2-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 170495635
4-[(Z)-4-(methylamino)but-1-enyl]phenol
CID 117268085
4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine
CID 79593374

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine (CID 170495663) is 4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine is CNCCC=Cc1ccc(OC)c(C)c1.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine?
The InChIKey is LTBGLBJRFVLIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-10-12(6-4-5-9-14-2)7-8-13(11)15-3/h4,6-8,10,14H,5,9H2,1-3H3.
What are the key properties of 4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine?
4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 170495663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).