3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine

C16H26N2O — CID 82090983

IUPAC3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C(CN)CN2CCOCC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-8-13(2)16(14(3)9-12)15(10-17)11-18-4-6-19-7-5-18/h8-9,15H,4-7,10-11,17H2,1-3H3
InChIKeyOWQDJPSOJADNEC-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.99
Rot. Bonds4

About 3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine

3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine (PubChem CID 82090983) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine
PubChem CID82090983
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C(CN)CN2CCOCC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-8-13(2)16(14(3)9-12)15(10-17)11-18-4-6-19-7-5-18/h8-9,15H,4-7,10-11,17H2,1-3H3
InChIKeyOWQDJPSOJADNEC-UHFFFAOYSA-N
XLogP1.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 82083200
2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62988305
3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 82090329
1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
CID 11971912
(2R)-3-morpholin-4-ylpropane-1,2-diamine
CID 50989617
2-(2-ethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43562607
1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 106680717
4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine
CID 82214335
6,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)quinolin-4-amine
CID 122570270
1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate
CID 75399143
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine (CID 82090983) is 3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine is Cc1cc(C)c(C(CN)CN2CCOCC2)c(C)c1.
What is the InChIKey of 3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine?
The InChIKey is OWQDJPSOJADNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-8-13(2)16(14(3)9-12)15(10-17)11-18-4-6-19-7-5-18/h8-9,15H,4-7,10-11,17H2,1-3H3.
What are the key properties of 3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine?
3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 82090983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).