(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine

C11H14ClNO — CID 131431095

IUPAC(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine
SMILESCOc1ccc(/C=C(/C)CN)cc1Cl
InChIInChI=1S/C11H14ClNO/c1-8(7-13)5-9-3-4-11(14-2)10(12)6-9/h3-6H,7,13H2,1-2H3/b8-5-
InChIKeyOQLLGLXOOWWYKO-YVMONPNESA-N
MW211.69 g/mol
LogP2.71
Rot. Bonds3

About (Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine

(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine (PubChem CID 131431095) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine
PubChem CID131431095
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine
SMILESCOc1ccc(/C=C(/C)CN)cc1Cl
InChIInChI=1S/C11H14ClNO/c1-8(7-13)5-9-3-4-11(14-2)10(12)6-9/h3-6H,7,13H2,1-2H3/b8-5-
InChIKeyOQLLGLXOOWWYKO-YVMONPNESA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334564
3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine
CID 79330049
5-(3-amino-2-methylprop-1-enyl)-2-methoxybenzonitrile
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4-(3-chloro-4-methoxyphenyl)but-3-enamide
CID 170797760
(E)-4-(3-chloro-4-methoxyphenyl)but-3-en-2-one
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4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene
CID 140937046
3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329386
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
2-chloro-4-ethenyl-1-methoxybenzene
CID 11147958
4-(3-chloro-4-methoxyphenyl)but-3-enal
CID 91126209
2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
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CID 79323277

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine (CID 131431095) is (Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine is COc1ccc(/C=C(/C)CN)cc1Cl.
What is the InChIKey of (Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine?
The InChIKey is OQLLGLXOOWWYKO-YVMONPNESA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8(7-13)5-9-3-4-11(14-2)10(12)6-9/h3-6H,7,13H2,1-2H3/b8-5-.
What are the key properties of (Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine?
(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine has a molecular weight of 211.69 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 131431095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).