4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol

C14H20ClNO2 — CID 143476132

IUPAC4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol
SMILESCC1CC(N(C)Cc2ccc(Cl)cc2)CC(O)O1
InChIInChI=1S/C14H20ClNO2/c1-10-7-13(8-14(17)18-10)16(2)9-11-3-5-12(15)6-4-11/h3-6,10,13-14,17H,7-9H2,1-2H3
InChIKeyZUKKMKUVXWCBIL-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.66
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol

4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol (PubChem CID 143476132) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol
PubChem CID143476132
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol
SMILESCC1CC(N(C)Cc2ccc(Cl)cc2)CC(O)O1
InChIInChI=1S/C14H20ClNO2/c1-10-7-13(8-14(17)18-10)16(2)9-11-3-5-12(15)6-4-11/h3-6,10,13-14,17H,7-9H2,1-2H3
InChIKeyZUKKMKUVXWCBIL-UHFFFAOYSA-N
XLogP2.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol
CID 71081904
[(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid
CID 143853528
N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
CID 115145533
1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone
CID 145467842
2-[(4-chlorophenyl)methyl-methylamino]-4-methylcyclohexane-1-carboxylic acid
CID 63072994
N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine
CID 66472313
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
(2R)-4,6-dimethyloxan-2-ol
CID 142116366
(3aR,6aS)-5-[(4-tert-butylphenyl)methyl-methylamino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol
CID 134712968
tert-butyl 3-[(4-chlorophenyl)methyl-methylamino]azetidine-1-carboxylate
CID 166358344
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol?
The IUPAC name of 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol (CID 143476132) is 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol?
The canonical SMILES for 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol is CC1CC(N(C)Cc2ccc(Cl)cc2)CC(O)O1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol?
The InChIKey is ZUKKMKUVXWCBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10-7-13(8-14(17)18-10)16(2)9-11-3-5-12(15)6-4-11/h3-6,10,13-14,17H,7-9H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol?
4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol has a molecular weight of 269.77 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol is sourced from PubChem (CID 143476132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).