1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol

C16H25ClN2O3 — CID 111468274

IUPAC1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESCOc1ccc(CNCC(C)(O)CN2CCOCC2)cc1Cl
InChIInChI=1S/C16H25ClN2O3/c1-16(20,12-19-5-7-22-8-6-19)11-18-10-13-3-4-15(21-2)14(17)9-13/h3-4,9,18,20H,5-8,10-12H2,1-2H3
InChIKeyCGFSYVDVSDXZCE-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.52
Rot. Bonds7

About 1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol

1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol (PubChem CID 111468274) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
PubChem CID111468274
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESCOc1ccc(CNCC(C)(O)CN2CCOCC2)cc1Cl
InChIInChI=1S/C16H25ClN2O3/c1-16(20,12-19-5-7-22-8-6-19)11-18-10-13-3-4-15(21-2)14(17)9-13/h3-4,9,18,20H,5-8,10-12H2,1-2H3
InChIKeyCGFSYVDVSDXZCE-UHFFFAOYSA-N
XLogP1.52
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 111468348
2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol
CID 111468279
N-[(3-chloro-4-methoxyphenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941226
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625168
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2-[(4-methoxy-3-methylphenyl)methyl]guanidine
CID 111657804
1-(3-chloro-4-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229969
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115653757
[(3-chloro-4-methoxyphenyl)methylamino]methanethiol
CID 115227883
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
N-[(3-chloro-4-methoxyphenyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103702143

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol (CID 111468274) is 1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol is COc1ccc(CNCC(C)(O)CN2CCOCC2)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The InChIKey is CGFSYVDVSDXZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3/c1-16(20,12-19-5-7-22-8-6-19)11-18-10-13-3-4-15(21-2)14(17)9-13/h3-4,9,18,20H,5-8,10-12H2,1-2H3.
What are the key properties of 1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol has a molecular weight of 328.84 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111468274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).