N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine

C15H22ClNO2 — CID 124548892

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine
SMILESCOc1ccc(Cl)cc1CN(C)C[C@H]1CCCOC1
InChIInChI=1S/C15H22ClNO2/c1-17(9-12-4-3-7-19-11-12)10-13-8-14(16)5-6-15(13)18-2/h5-6,8,12H,3-4,7,9-11H2,1-2H3/t12-/m1/s1
InChIKeyKKHWCZMBTMDYJG-GFCCVEGCSA-N
MW283.80 g/mol
LogP3.21
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine (PubChem CID 124548892) 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-[(3R)-oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine
PubChem CID124548892
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine
SMILESCOc1ccc(Cl)cc1CN(C)C[C@H]1CCCOC1
InChIInChI=1S/C15H22ClNO2/c1-17(9-12-4-3-7-19-11-12)10-13-8-14(16)5-6-15(13)18-2/h5-6,8,12H,3-4,7,9-11H2,1-2H3/t12-/m1/s1
InChIKeyKKHWCZMBTMDYJG-GFCCVEGCSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol
CID 63711599
3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 107208438
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86911707
4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63713066
1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide
CID 95142044
3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine
CID 63706552
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
CID 62861974
4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 104645244
4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 79582408
4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 82980475
2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 106790873

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine (CID 124548892) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine is COc1ccc(Cl)cc1CN(C)C[C@H]1CCCOC1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine?
The InChIKey is KKHWCZMBTMDYJG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-17(9-12-4-3-7-19-11-12)10-13-8-14(16)5-6-15(13)18-2/h5-6,8,12H,3-4,7,9-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine has a molecular weight of 283.80 g/mol, XLogP of 3.21, 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-[(3R)-oxan-3-yl]methanamine is sourced from PubChem (CID 124548892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).