[4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol

C13H19BrN2O2 — CID 81206159

IUPAC[4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol
SMILESNCC(c1ccc(Br)cc1)N1CCOC(CO)C1
InChIInChI=1S/C13H19BrN2O2/c14-11-3-1-10(2-4-11)13(7-15)16-5-6-18-12(8-16)9-17/h1-4,12-13,17H,5-9,15H2
InChIKeyUFTCNOQUYLTMIG-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.14
Rot. Bonds4

About [4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol

[4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol (PubChem CID 81206159) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is [4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol
PubChem CID81206159
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name[4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol
SMILESNCC(c1ccc(Br)cc1)N1CCOC(CO)C1
InChIInChI=1S/C13H19BrN2O2/c14-11-3-1-10(2-4-11)13(7-15)16-5-6-18-12(8-16)9-17/h1-4,12-13,17H,5-9,15H2
InChIKeyUFTCNOQUYLTMIG-UHFFFAOYSA-N
XLogP1.14
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-1-(4-bromophenyl)ethyl]morpholine-2-carbonitrile
CID 79674509
[4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]morpholin-2-yl]methanol
CID 81206453
[4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol
CID 81206167
2-(2-ethylmorpholin-4-yl)-2-(4-fluorophenyl)ethanamine
CID 43562409
2-(4-cyclopropylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 79983878
1-[2-amino-1-(4-bromophenyl)ethyl]piperidin-3-ol
CID 55015978
1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956112
[(2R)-4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]morpholin-2-yl]methanol
CID 99108798
2-(4-bromophenyl)-2-piperazin-1-ylethanamine
CID 82094058
(2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30072752
2-(3,4-difluorophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562470
2-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562487

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol (CID 81206159) is [4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol is NCC(c1ccc(Br)cc1)N1CCOC(CO)C1.
What is the InChIKey of [4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol?
The InChIKey is UFTCNOQUYLTMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c14-11-3-1-10(2-4-11)13(7-15)16-5-6-18-12(8-16)9-17/h1-4,12-13,17H,5-9,15H2.
What are the key properties of [4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol?
[4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol has a molecular weight of 315.21 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81206159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).