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

C12H17ClN2O2 — CID 81205346

IUPAC[4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol
SMILESNCc1c(Cl)cccc1N1CCOC(CO)C1
InChIInChI=1S/C12H17ClN2O2/c13-11-2-1-3-12(10(11)6-14)15-4-5-17-9(7-15)8-16/h1-3,9,16H,4-8,14H2
InChIKeyHULIGXBQWJDQPN-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.00
Rot. Bonds3

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

[4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol (PubChem CID 81205346) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is [4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol
PubChem CID81205346
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name[4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol
SMILESNCc1c(Cl)cccc1N1CCOC(CO)C1
InChIInChI=1S/C12H17ClN2O2/c13-11-2-1-3-12(10(11)6-14)15-4-5-17-9(7-15)8-16/h1-3,9,16H,4-8,14H2
InChIKeyHULIGXBQWJDQPN-UHFFFAOYSA-N
XLogP1.00
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 43122244
2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide
CID 114399438
2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid
CID 43562848
[4-(2-nitrophenyl)morpholin-2-yl]methanol
CID 79839619
[4-[2-(1-aminoethyl)phenyl]morpholin-2-yl]methanol
CID 81204899
[4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol
CID 81204298
[4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol
CID 81206370
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 81204973
N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63058796
[2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine
CID 63605516
[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
CID 81205635

Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol (CID 81205346) is [4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol is NCc1c(Cl)cccc1N1CCOC(CO)C1.
What is the InChIKey of [4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol?
The InChIKey is HULIGXBQWJDQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c13-11-2-1-3-12(10(11)6-14)15-4-5-17-9(7-15)8-16/h1-3,9,16H,4-8,14H2.
What are the key properties of [4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol?
[4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol has a molecular weight of 256.73 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81205346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).