N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine

C18H21ClN2O — CID 133482369

IUPACN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCC2(c3cccc(Cl)c3)CCOCC2)n1
InChIInChI=1S/C18H21ClN2O/c1-14-4-2-7-17(21-14)20-13-18(8-10-22-11-9-18)15-5-3-6-16(19)12-15/h2-7,12H,8-11,13H2,1H3,(H,20,21)
InChIKeyZYLVMNUHLAROFB-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.20
Rot. Bonds4

About N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine (PubChem CID 133482369) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine
PubChem CID133482369
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCC2(c3cccc(Cl)c3)CCOCC2)n1
InChIInChI=1S/C18H21ClN2O/c1-14-4-2-7-17(21-14)20-13-18(8-10-22-11-9-18)15-5-3-6-16(19)12-15/h2-7,12H,8-11,13H2,1H3,(H,20,21)
InChIKeyZYLVMNUHLAROFB-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62595127
N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine
CID 133468648
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 51091950
[4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol
CID 154784297
(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine
CID 167761666
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594988
1-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109432069
N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine
CID 62596266
(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
CID 94669671
tert-butyl N-[2-[[N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884190

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine (CID 133482369) is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine is Cc1cccc(NCC2(c3cccc(Cl)c3)CCOCC2)n1.
What is the InChIKey of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine?
The InChIKey is ZYLVMNUHLAROFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14-4-2-7-17(21-14)20-13-18(8-10-22-11-9-18)15-5-3-6-16(19)12-15/h2-7,12H,8-11,13H2,1H3,(H,20,21).
What are the key properties of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine?
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine has a molecular weight of 316.83 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 133482369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).