4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol

C14H20ClNO2 — CID 71081904

IUPAC4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol
SMILESCC1CC(N(C)Cc2ccc(Cl)cc2)C(O)CO1
InChIInChI=1S/C14H20ClNO2/c1-10-7-13(14(17)9-18-10)16(2)8-11-3-5-12(15)6-4-11/h3-6,10,13-14,17H,7-9H2,1-2H3
InChIKeyOIXNQPPXWXLTCB-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.31
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol

4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol (PubChem CID 71081904) 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-3-ol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol
PubChem CID71081904
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol
SMILESCC1CC(N(C)Cc2ccc(Cl)cc2)C(O)CO1
InChIInChI=1S/C14H20ClNO2/c1-10-7-13(14(17)9-18-10)16(2)8-11-3-5-12(15)6-4-11/h3-6,10,13-14,17H,7-9H2,1-2H3
InChIKeyOIXNQPPXWXLTCB-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol?
The IUPAC name of 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol (CID 71081904) is 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol?
The canonical SMILES for 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol is CC1CC(N(C)Cc2ccc(Cl)cc2)C(O)CO1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol?
The InChIKey is OIXNQPPXWXLTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10-7-13(14(17)9-18-10)16(2)8-11-3-5-12(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-3-ol?
4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol has a molecular weight of 269.77 g/mol, XLogP of 2.31, 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-3-ol is sourced from PubChem (CID 71081904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).