2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol

C14H21ClN2O — CID 112616281

IUPAC2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
SMILESCN(CCN1CCCC1)Cc1cccc(Cl)c1O
InChIInChI=1S/C14H21ClN2O/c1-16(9-10-17-7-2-3-8-17)11-12-5-4-6-13(15)14(12)18/h4-6,18H,2-3,7-11H2,1H3
InChIKeyWUYJTDUAVMKNMD-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.57
Rot. Bonds5

About 2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol

2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol (PubChem CID 112616281) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
PubChem CID112616281
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
SMILESCN(CCN1CCCC1)Cc1cccc(Cl)c1O
InChIInChI=1S/C14H21ClN2O/c1-16(9-10-17-7-2-3-8-17)11-12-5-4-6-13(15)14(12)18/h4-6,18H,2-3,7-11H2,1H3
InChIKeyWUYJTDUAVMKNMD-UHFFFAOYSA-N
XLogP2.57
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82980200
2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 112553641
2-chloro-6-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 112553470
4-bromo-2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979704
2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979703
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide
CID 112553294
N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine
CID 115464062
N-(2-chlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 11971646
2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]benzoic acid
CID 104548782
N-(3-chloro-2-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 24832612
2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 62833835

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol (CID 112616281) is 2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol is CN(CCN1CCCC1)Cc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
The InChIKey is WUYJTDUAVMKNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16(9-10-17-7-2-3-8-17)11-12-5-4-6-13(15)14(12)18/h4-6,18H,2-3,7-11H2,1H3.
What are the key properties of 2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol has a molecular weight of 268.79 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol is sourced from PubChem (CID 112616281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).