[4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol

C18H21ClN2O2 — CID 154784297

IUPAC[4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol
SMILESOCc1cnccc1NCC1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C18H21ClN2O2/c19-16-3-1-2-15(10-16)18(5-8-23-9-6-18)13-21-17-4-7-20-11-14(17)12-22/h1-4,7,10-11,22H,5-6,8-9,12-13H2,(H,20,21)
InChIKeyRLHAOKIJFKPZFV-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.39
Rot. Bonds5

About [4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol

[4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol (PubChem CID 154784297) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is [4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol
PubChem CID154784297
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name[4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol
SMILESOCc1cnccc1NCC1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C18H21ClN2O2/c19-16-3-1-2-15(10-16)18(5-8-23-9-6-18)13-21-17-4-7-20-11-14(17)12-22/h1-4,7,10-11,22H,5-6,8-9,12-13H2,(H,20,21)
InChIKeyRLHAOKIJFKPZFV-UHFFFAOYSA-N
XLogP3.39
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol with MolForge

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Related Compounds

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62595127
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine
CID 133482369
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 51091950
(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
1-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111233287
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
2-[[4-(3-chlorophenyl)oxan-4-yl]methyl]guanidine
CID 110918050
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
CID 139008870
(E)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-phenylprop-2-enamide
CID 60576380
(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
CID 94669671
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119749884
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol?
The IUPAC name of [4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol (CID 154784297) is [4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol.
What is the SMILES notation for [4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol?
The canonical SMILES for [4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol is OCc1cnccc1NCC1(c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of [4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol?
The InChIKey is RLHAOKIJFKPZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-16-3-1-2-15(10-16)18(5-8-23-9-6-18)13-21-17-4-7-20-11-14(17)12-22/h1-4,7,10-11,22H,5-6,8-9,12-13H2,(H,20,21).
What are the key properties of [4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol?
[4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol has a molecular weight of 332.83 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol is sourced from PubChem (CID 154784297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).