1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine

C11H14ClNO — CID 60880421

IUPAC1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
SMILESC=C(Cl)COc1ccc(CNC)cc1
InChIInChI=1S/C11H14ClNO/c1-9(12)8-14-11-5-3-10(4-6-11)7-13-2/h3-6,13H,1,7-8H2,2H3
InChIKeyMSTCWGWISRDEPL-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.54
Rot. Bonds5

About 1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine

1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine (PubChem CID 60880421) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
PubChem CID60880421
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
SMILESC=C(Cl)COc1ccc(CNC)cc1
InChIInChI=1S/C11H14ClNO/c1-9(12)8-14-11-5-3-10(4-6-11)7-13-2/h3-6,13H,1,7-8H2,2H3
InChIKeyMSTCWGWISRDEPL-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 55146817
1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 63044631
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
(1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 78930519
2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486986
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 106486259
N-methyl-1-(4-prop-2-ynoxyphenyl)methanamine
CID 60809338
2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 106486250
ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
CID 142914034
N-methyl-3-[4-(methylaminomethyl)phenoxy]propanamide
CID 62324162
1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65499941

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine (CID 60880421) is 1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine is C=C(Cl)COc1ccc(CNC)cc1.
What is the InChIKey of 1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine?
The InChIKey is MSTCWGWISRDEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-9(12)8-14-11-5-3-10(4-6-11)7-13-2/h3-6,13H,1,7-8H2,2H3.
What are the key properties of 1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine?
1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine has a molecular weight of 211.69 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 60880421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).