[4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol

C13H19ClN2O2 — CID 81204221

IUPAC[4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol
SMILESCC(N)c1ccc(N2CCOC(CO)C2)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-9(15)12-3-2-10(6-13(12)14)16-4-5-18-11(7-16)8-17/h2-3,6,9,11,17H,4-5,7-8,15H2,1H3
InChIKeyOANULJLEQHPJPG-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.56
Rot. Bonds3

About [4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol

[4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol (PubChem CID 81204221) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is [4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol
PubChem CID81204221
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name[4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol
SMILESCC(N)c1ccc(N2CCOC(CO)C2)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-9(15)12-3-2-10(6-13(12)14)16-4-5-18-11(7-16)8-17/h2-3,6,9,11,17H,4-5,7-8,15H2,1H3
InChIKeyOANULJLEQHPJPG-UHFFFAOYSA-N
XLogP1.56
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol
CID 81204298
[4-[2-(1-aminoethyl)phenyl]morpholin-2-yl]methanol
CID 81204899
[4-(4-amino-3-methylphenyl)morpholin-2-yl]methanol
CID 81206062
2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol
CID 81204822
[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 166940465
[(2S)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 162439692
2-amino-4-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 104500811
[4-[4-[(1R)-1-aminoethyl]-2-pyridinyl]morpholin-2-yl]methanol
CID 81205057
1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587278
2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine
CID 82300838
[4-[2-(aminomethyl)-4-pyridinyl]morpholin-2-yl]methanol
CID 81205345
1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958940

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol (CID 81204221) is [4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol is CC(N)c1ccc(N2CCOC(CO)C2)cc1Cl.
What is the InChIKey of [4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol?
The InChIKey is OANULJLEQHPJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(15)12-3-2-10(6-13(12)14)16-4-5-18-11(7-16)8-17/h2-3,6,9,11,17H,4-5,7-8,15H2,1H3.
What are the key properties of [4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol?
[4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol has a molecular weight of 270.76 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81204221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).