2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine

C16H24ClNO — CID 4532541

IUPAC2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine
SMILESCC1(C)CC(CCN)(Cc2ccccc2Cl)CCO1
InChIInChI=1S/C16H24ClNO/c1-15(2)12-16(7-9-18,8-10-19-15)11-13-5-3-4-6-14(13)17/h3-6H,7-12,18H2,1-2H3
InChIKeyYFTUDCNWQVREPF-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.81
Rot. Bonds4

About 2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine

2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine (PubChem CID 4532541) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine
PubChem CID4532541
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine
SMILESCC1(C)CC(CCN)(Cc2ccccc2Cl)CCO1
InChIInChI=1S/C16H24ClNO/c1-15(2)12-16(7-9-18,8-10-19-15)11-13-5-3-4-6-14(13)17/h3-6H,7-12,18H2,1-2H3
InChIKeyYFTUDCNWQVREPF-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine (CID 4532541) is 2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine is CC1(C)CC(CCN)(Cc2ccccc2Cl)CCO1.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine?
The InChIKey is YFTUDCNWQVREPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-15(2)12-16(7-9-18,8-10-19-15)11-13-5-3-4-6-14(13)17/h3-6H,7-12,18H2,1-2H3.
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine?
2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine has a molecular weight of 281.83 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine is sourced from PubChem (CID 4532541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).