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

C13H19ClN2O2 — CID 81204298

IUPAC[4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol
SMILESC[C@@H](N)c1ccc(N2CCOC(CO)C2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-9(15)10-2-3-13(12(14)6-10)16-4-5-18-11(7-16)8-17/h2-3,6,9,11,17H,4-5,7-8,15H2,1H3/t9-,11?/m1/s1
InChIKeyKHNNDQTYZRQVKJ-BFHBGLAWSA-N
MW270.76 g/mol
LogP1.56
Rot. Bonds3

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

[4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol (PubChem CID 81204298) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is [4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol
PubChem CID81204298
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name[4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol
SMILESC[C@@H](N)c1ccc(N2CCOC(CO)C2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-9(15)10-2-3-13(12(14)6-10)16-4-5-18-11(7-16)8-17/h2-3,6,9,11,17H,4-5,7-8,15H2,1H3/t9-,11?/m1/s1
InChIKeyKHNNDQTYZRQVKJ-BFHBGLAWSA-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

(1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine
CID 63369544
[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112625974
[4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol
CID 81204221
[4-[4-[(1R)-1-aminoethyl]-2-pyridinyl]morpholin-2-yl]methanol
CID 81205057
1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 81204973
[4-[2-(1-aminoethyl)phenyl]morpholin-2-yl]methanol
CID 81204899
[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
CID 55132072
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
CID 81205635
[4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol
CID 81205346
(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727
[4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol
CID 81205561

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol (CID 81204298) is [4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol is C[C@@H](N)c1ccc(N2CCOC(CO)C2)c(Cl)c1.
What is the InChIKey of [4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol?
The InChIKey is KHNNDQTYZRQVKJ-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(15)10-2-3-13(12(14)6-10)16-4-5-18-11(7-16)8-17/h2-3,6,9,11,17H,4-5,7-8,15H2,1H3/t9-,11?/m1/s1.
What are the key properties of [4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol?
[4-[4-[(1R)-1-aminoethyl]-2-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-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81204298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).