N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine

C16H26N2O — CID 115238131

IUPACN-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CCNCC2COCCN2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-8-13(2)16(14(3)9-12)4-5-17-10-15-11-19-7-6-18-15/h8-9,15,17-18H,4-7,10-11H2,1-3H3
InChIKeyHOMHRYIWCOMWPW-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.73
Rot. Bonds5

About N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine

N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 115238131) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID115238131
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CCNCC2COCCN2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-8-13(2)16(14(3)9-12)4-5-17-10-15-11-19-7-6-18-15/h8-9,15,17-18H,4-7,10-11H2,1-3H3
InChIKeyHOMHRYIWCOMWPW-UHFFFAOYSA-N
XLogP1.73
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238123
2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238118
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238028
3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine
CID 116928232
2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238155
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238057
N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine
CID 115238152
1-morpholin-3-yl-N-[(4-propylphenyl)methyl]methanamine
CID 115238003
N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238968
7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115237864
2-methyl-2-(3-methylthiophen-2-yl)-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238232
N-[(2-methyl-1H-indol-3-yl)methyl]-1-morpholin-3-ylmethanamine
CID 115238025

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 115238131) is N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(CCNCC2COCCN2)c(C)c1.
What is the InChIKey of N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is HOMHRYIWCOMWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-8-13(2)16(14(3)9-12)4-5-17-10-15-11-19-7-6-18-15/h8-9,15,17-18H,4-7,10-11H2,1-3H3.
What are the key properties of N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine?
N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 115238131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).