1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine

C16H18ClNO — CID 62073023

IUPAC1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C16H18ClNO/c1-12(18-2)15-10-14(17)8-9-16(15)19-11-13-6-4-3-5-7-13/h3-10,12,18H,11H2,1-2H3
InChIKeyOROXZXUOLAXGJQ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.20
Rot. Bonds5

About 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine

1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine (PubChem CID 62073023) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
PubChem CID62073023
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C16H18ClNO/c1-12(18-2)15-10-14(17)8-9-16(15)19-11-13-6-4-3-5-7-13/h3-10,12,18H,11H2,1-2H3
InChIKeyOROXZXUOLAXGJQ-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-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]-N-methylethanamine
CID 65126033
1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 103046401
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 104796252
1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 55135205
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 106861750
1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine
CID 65369845
1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 62073711
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 63499236
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine (CID 62073023) is 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine is CNC(C)c1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine?
The InChIKey is OROXZXUOLAXGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(18-2)15-10-14(17)8-9-16(15)19-11-13-6-4-3-5-7-13/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine?
1-(5-chloro-2-phenylmethoxyphenyl)-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-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 62073023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).