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

C16H18ClNO — CID 60883450

IUPAC1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO/c1-12(18-2)14-4-3-5-16(10-14)19-11-13-6-8-15(17)9-7-13/h3-10,12,18H,11H2,1-2H3
InChIKeyJUOVYGZQGAVPPJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.20
Rot. Bonds5

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

1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine (PubChem CID 60883450) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine
PubChem CID60883450
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO/c1-12(18-2)14-4-3-5-16(10-14)19-11-13-6-8-15(17)9-7-13/h3-10,12,18H,11H2,1-2H3
InChIKeyJUOVYGZQGAVPPJ-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(3-bromophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883448
1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114930058
4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine
CID 82184802
7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
CID 127035374
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
1-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 60881758
1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125799
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
CID 61482062
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63020641
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine (CID 60883450) is 1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is JUOVYGZQGAVPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(18-2)14-4-3-5-16(10-14)19-11-13-6-8-15(17)9-7-13/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine?
1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 60883450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).