1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine

C12H16ClNO — CID 106436789

IUPAC1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OC/C(C)=C/Cl)c1
InChIInChI=1S/C12H16ClNO/c1-10(7-13)9-15-12-5-3-4-11(6-12)8-14-2/h3-7,14H,8-9H2,1-2H3/b10-7+
InChIKeyAPRBWZASJCHJRG-JXMROGBWSA-N
MW225.72 g/mol
LogP2.93
Rot. Bonds5

About 1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine

1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine (PubChem CID 106436789) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine
PubChem CID106436789
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OC/C(C)=C/Cl)c1
InChIInChI=1S/C12H16ClNO/c1-10(7-13)9-15-12-5-3-4-11(6-12)8-14-2/h3-7,14H,8-9H2,1-2H3/b10-7+
InChIKeyAPRBWZASJCHJRG-JXMROGBWSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]butan-2-amine
CID 106439644
1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylethanamine
CID 106436816
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
3-[(Z)-3-chloro-2-methylprop-2-enoxy]benzoic acid
CID 106436639
methyl N-[2-[3-(methylaminomethyl)phenoxy]acetyl]carbamate
CID 106486093
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363
difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen
CID 145483741
N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine
CID 60883159
1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
CID 60922910

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine (CID 106436789) is 1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OC/C(C)=C/Cl)c1.
What is the InChIKey of 1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine?
The InChIKey is APRBWZASJCHJRG-JXMROGBWSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-10(7-13)9-15-12-5-3-4-11(6-12)8-14-2/h3-7,14H,8-9H2,1-2H3/b10-7+.
What are the key properties of 1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine?
1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine has a molecular weight of 225.72 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 106436789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).