[4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol

C13H19ClN2O2 — CID 102932091

IUPAC[4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(Cc2ccc(Cl)cc2N)CC(CO)O1
InChIInChI=1S/C13H19ClN2O2/c1-9-5-16(7-12(8-17)18-9)6-10-2-3-11(14)4-13(10)15/h2-4,9,12,17H,5-8,15H2,1H3
InChIKeyWLHSUWHWPZSOEV-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.50
Rot. Bonds3

About [4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol

[4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102932091) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is [4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102932091
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name[4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(Cc2ccc(Cl)cc2N)CC(CO)O1
InChIInChI=1S/C13H19ClN2O2/c1-9-5-16(7-12(8-17)18-9)6-10-2-3-11(14)4-13(10)15/h2-4,9,12,17H,5-8,15H2,1H3
InChIKeyWLHSUWHWPZSOEV-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 62100073
5-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]aniline
CID 79187911
2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine
CID 102936602
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440
4-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 79582306
3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935941
N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102932232
[4-[(3-chloro-4-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935735
[4-[(2-fluoro-4-methoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935432
2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
CID 102933414
1-[(2-amino-4-chlorophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463915
[4-(2-amino-5-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931866

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol (CID 102932091) is [4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol is CC1CN(Cc2ccc(Cl)cc2N)CC(CO)O1.
What is the InChIKey of [4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is WLHSUWHWPZSOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9-5-16(7-12(8-17)18-9)6-10-2-3-11(14)4-13(10)15/h2-4,9,12,17H,5-8,15H2,1H3.
What are the key properties of [4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol?
[4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 270.76 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102932091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).