(1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine

C20H26N2O2 — CID 95177714

IUPAC(1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
SMILESCOc1ccccc1[C@H](C)NCc1ccccc1N1CCOCC1
InChIInChI=1S/C20H26N2O2/c1-16(18-8-4-6-10-20(18)23-2)21-15-17-7-3-5-9-19(17)22-11-13-24-14-12-22/h3-10,16,21H,11-15H2,1-2H3/t16-/m0/s1
InChIKeyBZBXGVMRMISTEZ-INIZCTEOSA-N
MW326.44 g/mol
LogP3.38
Rot. Bonds6

About (1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine

(1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine (PubChem CID 95177714) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
PubChem CID95177714
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
SMILESCOc1ccccc1[C@H](C)NCc1ccccc1N1CCOCC1
InChIInChI=1S/C20H26N2O2/c1-16(18-8-4-6-10-20(18)23-2)21-15-17-7-3-5-9-19(17)22-11-13-24-14-12-22/h3-10,16,21H,11-15H2,1-2H3/t16-/m0/s1
InChIKeyBZBXGVMRMISTEZ-INIZCTEOSA-N
XLogP3.38
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2,4-difluorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 95177706
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111217759
2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111216368
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
(2R)-N-[(2-morpholin-4-ylphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95275011
4-[[1-(2-methoxyphenyl)ethylamino]methyl]benzene-1,3-diol
CID 43202064
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81396656
4-(2-chloro-3-methoxyphenyl)morpholine
CID 102440572
2-bromo-6-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81397811

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine (CID 95177714) is (1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine is COc1ccccc1[C@H](C)NCc1ccccc1N1CCOCC1.
What is the InChIKey of (1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
The InChIKey is BZBXGVMRMISTEZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16(18-8-4-6-10-20(18)23-2)21-15-17-7-3-5-9-19(17)22-11-13-24-14-12-22/h3-10,16,21H,11-15H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
(1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine has a molecular weight of 326.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 95177714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).