3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol

C13H19ClN2O2 — CID 113277030

IUPAC3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol
SMILESCN(Cc1c(O)cccc1Cl)CC1CNCCO1
InChIInChI=1S/C13H19ClN2O2/c1-16(8-10-7-15-5-6-18-10)9-11-12(14)3-2-4-13(11)17/h2-4,10,15,17H,5-9H2,1H3
InChIKeyNTHJORLRWINHHM-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.47
Rot. Bonds4

About 3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol

3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol (PubChem CID 113277030) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol
PubChem CID113277030
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol
SMILESCN(Cc1c(O)cccc1Cl)CC1CNCCO1
InChIInChI=1S/C13H19ClN2O2/c1-16(8-10-7-15-5-6-18-10)9-11-12(14)3-2-4-13(11)17/h2-4,10,15,17H,5-9H2,1H3
InChIKeyNTHJORLRWINHHM-UHFFFAOYSA-N
XLogP1.47
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82981120
3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 114321079
2,6-dihydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107690397
5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine
CID 170608853
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine
CID 78945054
N-methyl-1-morpholin-2-yl-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115237692
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 104792890
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
N-[[4-(difluoromethyl)phenyl]methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 115524679
2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile
CID 107119032
N-[(2-chlorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66429544
(2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine
CID 42048862

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol (CID 113277030) is 3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol is CN(Cc1c(O)cccc1Cl)CC1CNCCO1.
What is the InChIKey of 3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol?
The InChIKey is NTHJORLRWINHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-16(8-10-7-15-5-6-18-10)9-11-12(14)3-2-4-13(11)17/h2-4,10,15,17H,5-9H2,1H3.
What are the key properties of 3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol?
3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol has a molecular weight of 270.76 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 113277030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).