2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol

C16H24ClNO — CID 112616382

IUPAC2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
SMILESCC(C)CN(Cc1cccc(Cl)c1O)C1CCCC1
InChIInChI=1S/C16H24ClNO/c1-12(2)10-18(14-7-3-4-8-14)11-13-6-5-9-15(17)16(13)19/h5-6,9,12,14,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyOHHJFKKVRDYHSH-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.45
Rot. Bonds5

About 2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol

2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol (PubChem CID 112616382) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
PubChem CID112616382
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
SMILESCC(C)CN(Cc1cccc(Cl)c1O)C1CCCC1
InChIInChI=1S/C16H24ClNO/c1-12(2)10-18(14-7-3-4-8-14)11-13-6-5-9-15(17)16(13)19/h5-6,9,12,14,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyOHHJFKKVRDYHSH-UHFFFAOYSA-N
XLogP4.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
CID 82982762
3-chloro-2-[[cyclopentyl(3-methylbutyl)amino]methyl]phenol
CID 82982839
3-chloro-4-[[cyclopentyl(2-methylpropyl)amino]methyl]benzenecarbothioamide
CID 102666313
N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentanamine
CID 104557605
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol
CID 82983460
2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 112553488
2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 112554690
(3S)-N-[(2,3-dichlorophenyl)methyl]-N-(2-methylpropyl)pyrrolidin-3-amine;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 69063709
2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol
CID 82977158
N-[(2-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 114048651
N-(2-bromoethyl)-N-[(2,3-dichlorophenyl)methyl]cyclopentanamine
CID 107310031
methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate
CID 103887261

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol (CID 112616382) is 2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol is CC(C)CN(Cc1cccc(Cl)c1O)C1CCCC1.
What is the InChIKey of 2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol?
The InChIKey is OHHJFKKVRDYHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12(2)10-18(14-7-3-4-8-14)11-13-6-5-9-15(17)16(13)19/h5-6,9,12,14,19H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol?
2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol has a molecular weight of 281.83 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol is sourced from PubChem (CID 112616382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).