N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine

C16H24ClNO — CID 81352114

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESC[C@H](NC1CC(C)(C)OC1(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-11(12-6-8-13(17)9-7-12)18-14-10-15(2,3)19-16(14,4)5/h6-9,11,14,18H,10H2,1-5H3/t11-,14?/m0/s1
InChIKeyXBRCEMROCJKFBY-ZSOXZCCMSA-N
MW281.83 g/mol
LogP4.34
Rot. Bonds3

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine

N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 81352114) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID81352114
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESC[C@H](NC1CC(C)(C)OC1(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-11(12-6-8-13(17)9-7-12)18-14-10-15(2,3)19-16(14,4)5/h6-9,11,14,18H,10H2,1-5H3/t11-,14?/m0/s1
InChIKeyXBRCEMROCJKFBY-ZSOXZCCMSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81377263
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81383331
2,2,5,5-tetramethyl-N-(1-thiophen-2-ylethyl)oxolan-3-amine
CID 79917629
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81352952
2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine
CID 79916834
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine
CID 81352324
N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide
CID 75427832
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79907759
N-[1-(4-chlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64688345
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562140

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 81352114) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine is C[C@H](NC1CC(C)(C)OC1(C)C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is XBRCEMROCJKFBY-ZSOXZCCMSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11(12-6-8-13(17)9-7-12)18-14-10-15(2,3)19-16(14,4)5/h6-9,11,14,18H,10H2,1-5H3/t11-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 281.83 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 81352114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).