2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol

C15H22ClNO — CID 114136728

IUPAC2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNCCCC1CCCC1
InChIInChI=1S/C15H22ClNO/c16-14-9-3-8-13(15(14)18)11-17-10-4-7-12-5-1-2-6-12/h3,8-9,12,17-18H,1-2,4-7,10-11H2
InChIKeyMDXLIEPQGOSVHC-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.11
Rot. Bonds6

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

2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol (PubChem CID 114136728) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol
PubChem CID114136728
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNCCCC1CCCC1
InChIInChI=1S/C15H22ClNO/c16-14-9-3-8-13(15(14)18)11-17-10-4-7-12-5-1-2-6-12/h3,8-9,12,17-18H,1-2,4-7,10-11H2
InChIKeyMDXLIEPQGOSVHC-UHFFFAOYSA-N
XLogP4.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(2-cyclopentyloxyethylamino)methyl]phenol
CID 112554358
2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 112554690
2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 112554056
N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
CID 115690120
2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
CID 112554008
3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine
CID 114136754
2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol
CID 114146992
2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107412029
2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
CID 115908380
2-chloro-6-[(3-phenoxypropylamino)methyl]phenol
CID 115904573
2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112554095
3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 106008246

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol (CID 114136728) is 2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol is Oc1c(Cl)cccc1CNCCCC1CCCC1.
What is the InChIKey of 2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol?
The InChIKey is MDXLIEPQGOSVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-14-9-3-8-13(15(14)18)11-17-10-4-7-12-5-1-2-6-12/h3,8-9,12,17-18H,1-2,4-7,10-11H2.
What are the key properties of 2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol?
2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol has a molecular weight of 267.80 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol is sourced from PubChem (CID 114136728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).