2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine

C16H25ClN2O — CID 106817369

IUPAC2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
SMILESCc1ccc(C(CN)N2CC(C)OC(C)(C)C2)cc1Cl
InChIInChI=1S/C16H25ClN2O/c1-11-5-6-13(7-14(11)17)15(8-18)19-9-12(2)20-16(3,4)10-19/h5-7,12,15H,8-10,18H2,1-4H3
InChIKeyRRAHSECAVVDUTJ-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.15
Rot. Bonds3

About 2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine

2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine (PubChem CID 106817369) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
PubChem CID106817369
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
SMILESCc1ccc(C(CN)N2CC(C)OC(C)(C)C2)cc1Cl
InChIInChI=1S/C16H25ClN2O/c1-11-5-6-13(7-14(11)17)15(8-18)19-9-12(2)20-16(3,4)10-19/h5-7,12,15H,8-10,18H2,1-4H3
InChIKeyRRAHSECAVVDUTJ-UHFFFAOYSA-N
XLogP3.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 83230609
2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 62120808
2-[3-(difluoromethyl)phenyl]-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 115526851
2-(3-chloro-4-methylphenyl)-2-piperidin-1-ylethanamine
CID 106817233
2-(azocan-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817246
2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 104816304
2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 106817408
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 102838938
2-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 106817440
2-(3-chloro-4-methylphenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 106817340
2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 106817344
2-(2,2-dimethylmorpholin-4-yl)-2-(4-fluoro-3-methylphenyl)ethanamine
CID 62121310

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine (CID 106817369) is 2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine is Cc1ccc(C(CN)N2CC(C)OC(C)(C)C2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The InChIKey is RRAHSECAVVDUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-11-5-6-13(7-14(11)17)15(8-18)19-9-12(2)20-16(3,4)10-19/h5-7,12,15H,8-10,18H2,1-4H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine has a molecular weight of 296.84 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 106817369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).