3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol

C19H23ClN2O2 — CID 111434936

IUPAC3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
SMILESOc1cccc(CN(Cc2ccc(Cl)nc2)C2CCC(O)CC2)c1
InChIInChI=1S/C19H23ClN2O2/c20-19-9-4-15(11-21-19)13-22(16-5-7-17(23)8-6-16)12-14-2-1-3-18(24)10-14/h1-4,9-11,16-17,23-24H,5-8,12-13H2
InChIKeySPWRFYBBVZMELM-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.75
Rot. Bonds5

About 3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol

3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol (PubChem CID 111434936) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
PubChem CID111434936
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
SMILESOc1cccc(CN(Cc2ccc(Cl)nc2)C2CCC(O)CC2)c1
InChIInChI=1S/C19H23ClN2O2/c20-19-9-4-15(11-21-19)13-22(16-5-7-17(23)8-6-16)12-14-2-1-3-18(24)10-14/h1-4,9-11,16-17,23-24H,5-8,12-13H2
InChIKeySPWRFYBBVZMELM-UHFFFAOYSA-N
XLogP3.75
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[[(4-hydroxycyclohexyl)-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]phenol
CID 110009067
3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol
CID 146138888
N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61434645
3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol
CID 111434933
3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 110919062
N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide
CID 110929697
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
3-[[2,5-dioxaspiro[3.4]octan-6-ylmethyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 167980448
2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
CID 154747579
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 166384167
6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 47298789

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol?
The IUPAC name of 3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol (CID 111434936) is 3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol?
The canonical SMILES for 3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol is Oc1cccc(CN(Cc2ccc(Cl)nc2)C2CCC(O)CC2)c1.
What is the InChIKey of 3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol?
The InChIKey is SPWRFYBBVZMELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c20-19-9-4-15(11-21-19)13-22(16-5-7-17(23)8-6-16)12-14-2-1-3-18(24)10-14/h1-4,9-11,16-17,23-24H,5-8,12-13H2.
What are the key properties of 3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol?
3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol has a molecular weight of 346.86 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 111434936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).