1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine

C10H14ClNO — CID 58664109

IUPAC1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1c(Cl)cccc1CNC
InChIInChI=1S/C10H14ClNO/c1-3-13-10-8(7-12-2)5-4-6-9(10)11/h4-6,12H,3,7H2,1-2H3
InChIKeyKPOILXJUYACBOO-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.46
Rot. Bonds4

About 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine

1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine (PubChem CID 58664109) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
PubChem CID58664109
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1c(Cl)cccc1CNC
InChIInChI=1S/C10H14ClNO/c1-3-13-10-8(7-12-2)5-4-6-9(10)11/h4-6,12H,3,7H2,1-2H3
InChIKeyKPOILXJUYACBOO-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 112608474
ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate
CID 112608576
1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649
1-[3-chloro-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 112608537
1-chloro-2-ethoxy-3-propylbenzene
CID 143260119
1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine
CID 112608720
1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol
CID 115952355
1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 120838975
1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608676
3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
CID 112608572
1-[3-chloro-2-(3-methylsulfonylpropoxy)phenyl]-N-methylmethanamine
CID 112608503
2-(3-chloro-2-ethoxyphenyl)acetic acid
CID 75525846

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine (CID 58664109) is 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine is CCOc1c(Cl)cccc1CNC.
What is the InChIKey of 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is KPOILXJUYACBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-3-13-10-8(7-12-2)5-4-6-9(10)11/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine?
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 58664109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).