N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline

C16H18ClNO2 — CID 61038504

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCc1cc(Cl)ccc1OC
InChIInChI=1S/C16H18ClNO2/c1-19-11-12-5-3-4-6-15(12)18-10-13-9-14(17)7-8-16(13)20-2/h3-9,18H,10-11H2,1-2H3
InChIKeyZYOKNEKCVDMUMK-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.11
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline (PubChem CID 61038504) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline
PubChem CID61038504
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCc1cc(Cl)ccc1OC
InChIInChI=1S/C16H18ClNO2/c1-19-11-12-5-3-4-6-15(12)18-10-13-9-14(17)7-8-16(13)20-2/h3-9,18H,10-11H2,1-2H3
InChIKeyZYOKNEKCVDMUMK-UHFFFAOYSA-N
XLogP4.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 78885346
N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline
CID 114841617
2-(1-chloroethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 65029811
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
CID 43677929
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile
CID 61036659
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline
CID 63445893
4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410874
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 43410815

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline (CID 61038504) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline is COCc1ccccc1NCc1cc(Cl)ccc1OC.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline?
The InChIKey is ZYOKNEKCVDMUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-19-11-12-5-3-4-6-15(12)18-10-13-9-14(17)7-8-16(13)20-2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline has a molecular weight of 291.78 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 61038504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).