1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine

C11H12ClNO — CID 114318854

IUPAC1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine
SMILESC#CCOc1cccc(Cl)c1CNC
InChIInChI=1S/C11H12ClNO/c1-3-7-14-11-6-4-5-10(12)9(11)8-13-2/h1,4-6,13H,7-8H2,2H3
InChIKeyACNRSWBGSORMPG-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.07
Rot. Bonds4

About 1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine

1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine (PubChem CID 114318854) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine
PubChem CID114318854
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine
SMILESC#CCOc1cccc(Cl)c1CNC
InChIInChI=1S/C11H12ClNO/c1-3-7-14-11-6-4-5-10(12)9(11)8-13-2/h1,4-6,13H,7-8H2,2H3
InChIKeyACNRSWBGSORMPG-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(E)-but-2-enoxy]-6-chlorophenyl]-N-methylmethanamine
CID 114318815
1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine
CID 114318647
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine
CID 114318831
1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 114318632
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726
1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 43479857
methyl 4-[3-chloro-2-(methylaminomethyl)phenoxy]butanoate
CID 114318736
1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318666
1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318794
1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 63552208
2-[3-chloro-2-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 114318726

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine (CID 114318854) is 1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine is C#CCOc1cccc(Cl)c1CNC.
What is the InChIKey of 1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine?
The InChIKey is ACNRSWBGSORMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-3-7-14-11-6-4-5-10(12)9(11)8-13-2/h1,4-6,13H,7-8H2,2H3.
What are the key properties of 1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine?
1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine has a molecular weight of 209.68 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 114318854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).