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

C15H23ClN2O — CID 102742904

IUPAC[3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
SMILESCC1(C)CN(c2ccc(CN)cc2Cl)CC(C)(C)O1
InChIInChI=1S/C15H23ClN2O/c1-14(2)9-18(10-15(3,4)19-14)13-6-5-11(8-17)7-12(13)16/h5-7H,8-10,17H2,1-4H3
InChIKeyTWPWFYCYZXPTAI-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.19
Rot. Bonds2

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

[3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine (PubChem CID 102742904) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is [3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
PubChem CID102742904
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC Name[3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
SMILESCC1(C)CN(c2ccc(CN)cc2Cl)CC(C)(C)O1
InChIInChI=1S/C15H23ClN2O/c1-14(2)9-18(10-15(3,4)19-14)13-6-5-11(8-17)7-12(13)16/h5-7H,8-10,17H2,1-4H3
InChIKeyTWPWFYCYZXPTAI-UHFFFAOYSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine (CID 102742904) is [3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine is CC1(C)CN(c2ccc(CN)cc2Cl)CC(C)(C)O1.
What is the InChIKey of [3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
The InChIKey is TWPWFYCYZXPTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-14(2)9-18(10-15(3,4)19-14)13-6-5-11(8-17)7-12(13)16/h5-7H,8-10,17H2,1-4H3.
What are the key properties of [3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
[3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine has a molecular weight of 282.82 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine is sourced from PubChem (CID 102742904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).