2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol

C14H20ClNO — CID 107412029

IUPAC2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol
SMILESCC1CCC(CNCc2cccc(Cl)c2O)C1
InChIInChI=1S/C14H20ClNO/c1-10-5-6-11(7-10)8-16-9-12-3-2-4-13(15)14(12)17/h2-4,10-11,16-17H,5-9H2,1H3
InChIKeyBOQCJKHJGXNUQV-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.57
Rot. Bonds4

About 2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol

2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol (PubChem CID 107412029) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol
PubChem CID107412029
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol
SMILESCC1CCC(CNCc2cccc(Cl)c2O)C1
InChIInChI=1S/C14H20ClNO/c1-10-5-6-11(7-10)8-16-9-12-3-2-4-13(15)14(12)17/h2-4,10-11,16-17H,5-9H2,1H3
InChIKeyBOQCJKHJGXNUQV-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.57
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

2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol
CID 114146992
2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112554095
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol
CID 114136728
3-[[(4-ethylcyclohexyl)methylamino]methyl]benzene-1,2-diol
CID 61317881
3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270651
2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol
CID 112606932
1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol
CID 107412633
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411830
4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411546
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411472
2-chloro-6-[(2-hydroxypropylamino)methyl]phenol
CID 112553929

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol (CID 107412029) is 2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol is CC1CCC(CNCc2cccc(Cl)c2O)C1.
What is the InChIKey of 2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol?
The InChIKey is BOQCJKHJGXNUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-5-6-11(7-10)8-16-9-12-3-2-4-13(15)14(12)17/h2-4,10-11,16-17H,5-9H2,1H3.
What are the key properties of 2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol?
2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol has a molecular weight of 253.77 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol is sourced from PubChem (CID 107412029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).