2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine

C16H26N2O — CID 43220541

IUPAC2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNCCN2CCOCC2)cc1C
InChIInChI=1S/C16H26N2O/c1-13-10-15(3)16(11-14(13)2)12-17-4-5-18-6-8-19-9-7-18/h10-11,17H,4-9,12H2,1-3H3
InChIKeyOKFCEUHAKUICMB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.03
Rot. Bonds5

About 2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine

2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine (PubChem CID 43220541) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
PubChem CID43220541
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNCCN2CCOCC2)cc1C
InChIInChI=1S/C16H26N2O/c1-13-10-15(3)16(11-14(13)2)12-17-4-5-18-6-8-19-9-7-18/h10-11,17H,4-9,12H2,1-3H3
InChIKeyOKFCEUHAKUICMB-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol
CID 45028510
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 79604413
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 79578789
2,4,5-trimethyl-N-(2-morpholin-4-ylethyl)aniline
CID 82498851
N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 90054696
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 104791505
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647
N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43212568

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine (CID 43220541) is 2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine is Cc1cc(C)c(CNCCN2CCOCC2)cc1C.
What is the InChIKey of 2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The InChIKey is OKFCEUHAKUICMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-10-15(3)16(11-14(13)2)12-17-4-5-18-6-8-19-9-7-18/h10-11,17H,4-9,12H2,1-3H3.
What are the key properties of 2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43220541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).