[3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine

C15H23ClN2O — CID 102662894

IUPAC[3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine
SMILESCC1CN(Cc2ccc(CN)cc2Cl)CC(C)(C)O1
InChIInChI=1S/C15H23ClN2O/c1-11-8-18(10-15(2,3)19-11)9-13-5-4-12(7-17)6-14(13)16/h4-6,11H,7-10,17H2,1-3H3
InChIKeyBNKSBKLLDKGHJT-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.80
Rot. Bonds3

About [3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine

[3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine (PubChem CID 102662894) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is [3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine
PubChem CID102662894
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC Name[3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine
SMILESCC1CN(Cc2ccc(CN)cc2Cl)CC(C)(C)O1
InChIInChI=1S/C15H23ClN2O/c1-11-8-18(10-15(2,3)19-11)9-13-5-4-12(7-17)6-14(13)16/h4-6,11H,7-10,17H2,1-3H3
InChIKeyBNKSBKLLDKGHJT-UHFFFAOYSA-N
XLogP2.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N'-hydroxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 102666906
[5-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-yl]methanamine
CID 62434742
[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 102662930
trimethyl-[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]silane
CID 103438391
[4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776468
[3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine
CID 102663098
N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62435983
2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
CID 81166311
5-methoxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 82978872
[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662919
[3-chloro-4-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]phenyl]methanamine
CID 107453592

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine (CID 102662894) is [3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine is CC1CN(Cc2ccc(CN)cc2Cl)CC(C)(C)O1.
What is the InChIKey of [3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine?
The InChIKey is BNKSBKLLDKGHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11-8-18(10-15(2,3)19-11)9-13-5-4-12(7-17)6-14(13)16/h4-6,11H,7-10,17H2,1-3H3.
What are the key properties of [3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine?
[3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine has a molecular weight of 282.82 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 102662894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).