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

4-Chloro-2-[(dimethylamino)methyl]phenol
CID 308174
2,4-Dichloro-6-[(4-ethylpiperazin-1-yl)methyl]phenol
CID 783303
2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol
CID 783699
2-[(4-Benzyl-1-piperazinyl)methyl]-4,6-dichlorophenol
CID 1376190
Cambridge id 5431283
CID 2846175
4-Chloro-2-((3-(5-chloro-2-hydroxybenzyl)-1-imidazolidinyl)methyl)phenol
CID 381409
2,4-Xylenol, 6-chloro-alpha(sup 4)-(dimethylamino)-
CID 3068125
2,4-Dichloro-6-[(dimethylamino)methyl]phenol
CID 225326
4-Chloro-2,6-bis(dimethylaminomethyl)phenol
CID 308175
2-Chloro-4,6-bis((dimethylamino)methyl)phenol
CID 236579
4-Tert-butyl-2-chloro-6-[(4-methylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 73348092
Cambridge id 5426615
CID 3574236

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).