2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride

C13H20ClNO — CID 115680456

IUPAC2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
SMILESCC1(CNCc2ccccc2O)CCC1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-13(7-4-8-13)10-14-9-11-5-2-3-6-12(11)15;/h2-3,5-6,14-15H,4,7-10H2,1H3;1H
InChIKeyYKWYBUKMDCUQKM-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.09
Rot. Bonds4

About 2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride

2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride (PubChem CID 115680456) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
PubChem CID115680456
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
SMILESCC1(CNCc2ccccc2O)CCC1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-13(7-4-8-13)10-14-9-11-5-2-3-6-12(11)15;/h2-3,5-6,14-15H,4,7-10H2,1H3;1H
InChIKeyYKWYBUKMDCUQKM-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680463
1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735964
2-(2-hydroxyphenyl)-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103738243
1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822886
N-[(1-methylcyclopentyl)methyl]-1-naphthalen-1-ylmethanamine
CID 63822202
N-[2-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103834517
2-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenol
CID 107267118
4-[[(1-methylcyclopropyl)methylamino]methyl]benzene-1,3-diol
CID 103724419
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984685
4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103923735
N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine
CID 103735801

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride?
The IUPAC name of 2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride (CID 115680456) is 2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride.
What is the SMILES notation for 2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride?
The canonical SMILES for 2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride is CC1(CNCc2ccccc2O)CCC1.Cl.
What is the InChIKey of 2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride?
The InChIKey is YKWYBUKMDCUQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-13(7-4-8-13)10-14-9-11-5-2-3-6-12(11)15;/h2-3,5-6,14-15H,4,7-10H2,1H3;1H.
What are the key properties of 2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride?
2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride is sourced from PubChem (CID 115680456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).