N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

C16H24ClNO — CID 115801566

IUPACN-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1Cl)C1C(C)OC(C)C1C
InChIInChI=1S/C16H24ClNO/c1-5-18-16(13-8-6-7-9-14(13)17)15-10(2)11(3)19-12(15)4/h6-12,15-16,18H,5H2,1-4H3
InChIKeyHITCITLUAKLHQN-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.05
Rot. Bonds4

About N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (PubChem CID 115801566) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
PubChem CID115801566
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1Cl)C1C(C)OC(C)C1C
InChIInChI=1S/C16H24ClNO/c1-5-18-16(13-8-6-7-9-14(13)17)15-10(2)11(3)19-12(15)4/h6-12,15-16,18H,5H2,1-4H3
InChIKeyHITCITLUAKLHQN-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (CID 115801566) is N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is CCNC(c1ccccc1Cl)C1C(C)OC(C)C1C.
What is the InChIKey of N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The InChIKey is HITCITLUAKLHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-5-18-16(13-8-6-7-9-14(13)17)15-10(2)11(3)19-12(15)4/h6-12,15-16,18H,5H2,1-4H3.
What are the key properties of N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine has a molecular weight of 281.83 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 115801566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).