2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride

C15H25ClN2O2 — CID 120898104

IUPAC2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride
SMILESCOc1cc(CN(C)CC2(C)CCNC2)ccc1O.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-15(6-7-16-10-15)11-17(2)9-12-4-5-13(18)14(8-12)19-3;/h4-5,8,16,18H,6-7,9-11H2,1-3H3;1H
InChIKeyBITPXJVAXFRGLR-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.25
Rot. Bonds5

About 2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride

2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride (PubChem CID 120898104) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride
PubChem CID120898104
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride
SMILESCOc1cc(CN(C)CC2(C)CCNC2)ccc1O.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-15(6-7-16-10-15)11-17(2)9-12-4-5-13(18)14(8-12)19-3;/h4-5,8,16,18H,6-7,9-11H2,1-3H3;1H
InChIKeyBITPXJVAXFRGLR-UHFFFAOYSA-N
XLogP2.25
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120899620
1-(3-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 55164971
1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898706
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142889
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120897682
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119944199
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120897419
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119705016
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120902842
2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 79311898
2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine
CID 55165098

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride?
The IUPAC name of 2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride (CID 120898104) is 2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride.
What is the SMILES notation for 2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride?
The canonical SMILES for 2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride is COc1cc(CN(C)CC2(C)CCNC2)ccc1O.Cl.
What is the InChIKey of 2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride?
The InChIKey is BITPXJVAXFRGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-15(6-7-16-10-15)11-17(2)9-12-4-5-13(18)14(8-12)19-3;/h4-5,8,16,18H,6-7,9-11H2,1-3H3;1H.
What are the key properties of 2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride?
2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride is sourced from PubChem (CID 120898104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).