N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine

C15H22ClNO2 — CID 86911707

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCOc1ccc(Cl)cc1CN(C)CC1CCCCO1
InChIInChI=1S/C15H22ClNO2/c1-17(11-14-5-3-4-8-19-14)10-12-9-13(16)6-7-15(12)18-2/h6-7,9,14H,3-5,8,10-11H2,1-2H3
InChIKeyAUIUSGFQHMKEBD-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.35
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 86911707) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID86911707
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCOc1ccc(Cl)cc1CN(C)CC1CCCCO1
InChIInChI=1S/C15H22ClNO2/c1-17(11-14-5-3-4-8-19-14)10-12-9-13(16)6-7-15(12)18-2/h6-7,9,14H,3-5,8,10-11H2,1-2H3
InChIKeyAUIUSGFQHMKEBD-UHFFFAOYSA-N
XLogP3.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 77096960
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine
CID 124548892
4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 61431598
N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 77080814
1-(3-chloro-4-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432505
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967862
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
CID 99931540
2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 65339795
4-chloro-3-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61430964
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline
CID 114848966

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine (CID 86911707) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine is COc1ccc(Cl)cc1CN(C)CC1CCCCO1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is AUIUSGFQHMKEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-17(11-14-5-3-4-8-19-14)10-12-9-13(16)6-7-15(12)18-2/h6-7,9,14H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 283.80 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 86911707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).