1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine

C16H19ClN2O — CID 62911734

IUPAC1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCc2ccccn2)c(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-12(18-2)13-6-7-16(15(17)11-13)20-10-8-14-5-3-4-9-19-14/h3-7,9,11-12,18H,8,10H2,1-2H3
InChIKeyFXJUHKDQRODBIP-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.64
Rot. Bonds6

About 1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine

1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine (PubChem CID 62911734) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine
PubChem CID62911734
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCc2ccccn2)c(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-12(18-2)13-6-7-16(15(17)11-13)20-10-8-14-5-3-4-9-19-14/h3-7,9,11-12,18H,8,10H2,1-2H3
InChIKeyFXJUHKDQRODBIP-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(3-phenylpropoxy)phenyl]-N-methylethanamine
CID 62912780
1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine
CID 62911909
1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine
CID 102999983
1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine
CID 55222844
1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine
CID 62911552
1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43279425
1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine
CID 82954132
6-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702855
3-chloro-4-(2-pyridin-2-ylethoxy)benzenecarbothioamide
CID 61389061
1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine
CID 106722519
N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740312
1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
CID 62911050

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine (CID 62911734) is 1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(OCCc2ccccn2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine?
The InChIKey is FXJUHKDQRODBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-12(18-2)13-6-7-16(15(17)11-13)20-10-8-14-5-3-4-9-19-14/h3-7,9,11-12,18H,8,10H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine?
1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine has a molecular weight of 290.79 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 62911734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).