3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine

C11H15NO — CID 79329386

IUPAC3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine
SMILESCOc1cccc(C=C(C)CN)c1
InChIInChI=1S/C11H15NO/c1-9(8-12)6-10-4-3-5-11(7-10)13-2/h3-7H,8,12H2,1-2H3
InChIKeyCZYDCXCBGOLGMB-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.06
Rot. Bonds3

About 3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine

3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine (PubChem CID 79329386) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine
PubChem CID79329386
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine
SMILESCOc1cccc(C=C(C)CN)c1
InChIInChI=1S/C11H15NO/c1-9(8-12)6-10-4-3-5-11(7-10)13-2/h3-7H,8,12H2,1-2H3
InChIKeyCZYDCXCBGOLGMB-UHFFFAOYSA-N
XLogP2.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine
CID 115038095
(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 5375231
3-(3-methoxyphenyl)-2-methylprop-2-enal
CID 54057122
ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715
(Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal
CID 134285602
1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene
CID 20530618
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 131431095
methyl 2-amino-3-(3-methoxyphenyl)prop-2-enoate
CID 141072187
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
(E)-2-bromo-3-(3-methoxyphenyl)prop-2-enal
CID 172528523

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine (CID 79329386) is 3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine is COc1cccc(C=C(C)CN)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine?
The InChIKey is CZYDCXCBGOLGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(8-12)6-10-4-3-5-11(7-10)13-2/h3-7H,8,12H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine?
3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine has a molecular weight of 177.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79329386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).