1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine

C17H20ClNO2 — CID 62910844

IUPAC1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2cccc(OC)c2)c(Cl)c1
InChIInChI=1S/C17H20ClNO2/c1-12(19-2)14-7-8-17(16(18)10-14)21-11-13-5-4-6-15(9-13)20-3/h4-10,12,19H,11H2,1-3H3
InChIKeyWOTVRNONBWOSKV-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.21
Rot. Bonds6

About 1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine

1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine (PubChem CID 62910844) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
PubChem CID62910844
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2cccc(OC)c2)c(Cl)c1
InChIInChI=1S/C17H20ClNO2/c1-12(19-2)14-7-8-17(16(18)10-14)21-11-13-5-4-6-15(9-13)20-3/h4-10,12,19H,11H2,1-3H3
InChIKeyWOTVRNONBWOSKV-UHFFFAOYSA-N
XLogP4.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
1-[3-chloro-4-(3-phenylpropoxy)phenyl]-N-methylethanamine
CID 62912780
1-[3-chloro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
CID 62912068
1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 62911731
N-[1-(3-chloro-4-phenylmethoxyphenyl)ethyl]propan-1-amine
CID 63533463
1-[3-[3-(methoxymethyl)phenoxy]phenyl]-N-methylethanamine
CID 79167488
N-ethyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43284865
1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
CID 82824039
3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 61388847
1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883450
1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine
CID 55222844
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine (CID 62910844) is 1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(OCc2cccc(OC)c2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is WOTVRNONBWOSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(19-2)14-7-8-17(16(18)10-14)21-11-13-5-4-6-15(9-13)20-3/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine?
1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.21, 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-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 62910844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).