(E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine

C11H14ClNO — CID 117302321

IUPAC(E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine
SMILESCOc1cc(Cl)c(C)c(/C=C/CN)c1
InChIInChI=1S/C11H14ClNO/c1-8-9(4-3-5-13)6-10(14-2)7-11(8)12/h3-4,6-7H,5,13H2,1-2H3/b4-3+
InChIKeyCCGHDIRVANKIBJ-ONEGZZNKSA-N
MW211.69 g/mol
LogP2.63
Rot. Bonds3

About (E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine

(E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine (PubChem CID 117302321) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine
PubChem CID117302321
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine
SMILESCOc1cc(Cl)c(C)c(/C=C/CN)c1
InChIInChI=1S/C11H14ClNO/c1-8-9(4-3-5-13)6-10(14-2)7-11(8)12/h3-4,6-7H,5,13H2,1-2H3/b4-3+
InChIKeyCCGHDIRVANKIBJ-ONEGZZNKSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(5-bromo-3-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 117443203
(E)-3-(2-chloro-4,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117327748
(E)-3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)prop-2-en-1-amine
CID 117331527
(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine
CID 117282507
2-(3-aminoprop-1-enyl)-4-methoxyaniline
CID 169463650
(E)-3-(2,5-dimethoxy-3-methylsulfanylphenyl)prop-2-en-1-amine
CID 117351505
(E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
CID 117352410
(E)-3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)prop-2-en-1-amine
CID 117392432
(E)-3-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117331523
(E)-3-(5-bromo-2,4-dimethoxy-3-methylphenyl)prop-2-en-1-amine
CID 117460762
2-chloro-4-methoxy-6-methylaniline
CID 12909337
(E)-3-(4-chloro-3-fluoro-2-methoxyphenyl)prop-2-en-1-amine
CID 117307315

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine (CID 117302321) is (E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine is COc1cc(Cl)c(C)c(/C=C/CN)c1.
What is the InChIKey of (E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine?
The InChIKey is CCGHDIRVANKIBJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-9(4-3-5-13)6-10(14-2)7-11(8)12/h3-4,6-7H,5,13H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine?
(E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine has a molecular weight of 211.69 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117302321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).