N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine

C17H25Cl2NO — CID 105052961

IUPACN-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1Cl)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H25Cl2NO/c1-6-20-15(12-8-7-11(18)9-14(12)19)13-10-16(2,3)21-17(13,4)5/h7-9,13,15,20H,6,10H2,1-5H3
InChIKeyZOOHAILVHZIRHA-UHFFFAOYSA-N
MW330.30 g/mol
LogP5.24
Rot. Bonds4

About N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine

N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine (PubChem CID 105052961) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
PubChem CID105052961
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC NameN-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1Cl)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H25Cl2NO/c1-6-20-15(12-8-7-11(18)9-14(12)19)13-10-16(2,3)21-17(13,4)5/h7-9,13,15,20H,6,10H2,1-5H3
InChIKeyZOOHAILVHZIRHA-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(2-bromo-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105053129
N-[(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105052792
N-[(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 114623400
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
N-[(4-methylsulfanylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105053011
N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine
CID 104990929
(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622632
N-[(6-methyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105189219
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177443
N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 106858824
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107177444
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053110

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine (CID 105052961) is N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1Cl)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The InChIKey is ZOOHAILVHZIRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-6-20-15(12-8-7-11(18)9-14(12)19)13-10-16(2,3)21-17(13,4)5/h7-9,13,15,20H,6,10H2,1-5H3.
What are the key properties of N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine has a molecular weight of 330.30 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105052961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).