(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine

C12H17NO — CID 117282507

IUPAC(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine
SMILESCOc1cc(C)c(/C=C/CN)c(C)c1
InChIInChI=1S/C12H17NO/c1-9-7-11(14-3)8-10(2)12(9)5-4-6-13/h4-5,7-8H,6,13H2,1-3H3/b5-4+
InChIKeyXLIJSOGEBOZGEL-SNAWJCMRSA-N
MW191.27 g/mol
LogP2.28
Rot. Bonds3

About (E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine

(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine (PubChem CID 117282507) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine
PubChem CID117282507
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine
SMILESCOc1cc(C)c(/C=C/CN)c(C)c1
InChIInChI=1S/C12H17NO/c1-9-7-11(14-3)8-10(2)12(9)5-4-6-13/h4-5,7-8H,6,13H2,1-3H3/b5-4+
InChIKeyXLIJSOGEBOZGEL-SNAWJCMRSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine
CID 82285295
ethyl 4-(4-methoxy-2,6-dimethylphenyl)but-3-enoate
CID 170796451
(E)-3-(3-bromo-2-methoxy-4,6-dimethylphenyl)prop-2-en-1-amine
CID 117428308
(E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine
CID 117316453
(E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine
CID 117302321
3-(2,6-dimethylphenyl)prop-2-en-1-amine
CID 169463179
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
(E)-3-(2-bromo-3,6-dimethoxy-4-methylphenyl)prop-2-en-1-amine
CID 117460751
(E)-3-(2-bromo-5,6-dimethoxy-3-methylphenyl)prop-2-en-1-amine
CID 117460759
(E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine
CID 117282502
(E)-3-(2,6-difluoro-3,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117330030
tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169467818

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine (CID 117282507) is (E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine is COc1cc(C)c(/C=C/CN)c(C)c1.
What is the InChIKey of (E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine?
The InChIKey is XLIJSOGEBOZGEL-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-7-11(14-3)8-10(2)12(9)5-4-6-13/h4-5,7-8H,6,13H2,1-3H3/b5-4+.
What are the key properties of (E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine?
(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117282507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).