2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol

C14H20ClNO2 — CID 112554358

IUPAC2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNCCOC1CCCC1
InChIInChI=1S/C14H20ClNO2/c15-13-7-3-4-11(14(13)17)10-16-8-9-18-12-5-1-2-6-12/h3-4,7,12,16-17H,1-2,5-6,8-10H2
InChIKeyWOYZXCZSWMMVPT-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.09
Rot. Bonds6

About 2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol

2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol (PubChem CID 112554358) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol
PubChem CID112554358
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNCCOC1CCCC1
InChIInChI=1S/C14H20ClNO2/c15-13-7-3-4-11(14(13)17)10-16-8-9-18-12-5-1-2-6-12/h3-4,7,12,16-17H,1-2,5-6,8-10H2
InChIKeyWOYZXCZSWMMVPT-UHFFFAOYSA-N
XLogP3.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol
CID 114136728
2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid
CID 115461994
2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 112554690
N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine
CID 106862669
2-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251682
2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol
CID 114146992
2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 112554056
N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine
CID 66161355
2-chloro-6-[(3-phenoxypropylamino)methyl]phenol
CID 115904573
2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 63828219
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
3-chloro-2-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
CID 63823896

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol (CID 112554358) is 2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol is Oc1c(Cl)cccc1CNCCOC1CCCC1.
What is the InChIKey of 2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol?
The InChIKey is WOYZXCZSWMMVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-13-7-3-4-11(14(13)17)10-16-8-9-18-12-5-1-2-6-12/h3-4,7,12,16-17H,1-2,5-6,8-10H2.
What are the key properties of 2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol?
2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol has a molecular weight of 269.77 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol is sourced from PubChem (CID 112554358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).