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

C16H24BrNO — CID 81383331

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESC[C@H](NC1CC(C)(C)OC1(C)C)c1ccccc1Br
InChIInChI=1S/C16H24BrNO/c1-11(12-8-6-7-9-13(12)17)18-14-10-15(2,3)19-16(14,4)5/h6-9,11,14,18H,10H2,1-5H3/t11-,14?/m0/s1
InChIKeyYHTUTUKVYUFCPD-ZSOXZCCMSA-N
MW326.28 g/mol
LogP4.45
Rot. Bonds3

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

N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 81383331) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID81383331
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESC[C@H](NC1CC(C)(C)OC1(C)C)c1ccccc1Br
InChIInChI=1S/C16H24BrNO/c1-11(12-8-6-7-9-13(12)17)18-14-10-15(2,3)19-16(14,4)5/h6-9,11,14,18H,10H2,1-5H3/t11-,14?/m0/s1
InChIKeyYHTUTUKVYUFCPD-ZSOXZCCMSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.45
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-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 81379211
2,2,5,5-tetramethyl-N-(1-thiophen-2-ylethyl)oxolan-3-amine
CID 79917629
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81352114
N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915649
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658906
[(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105208749
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79907759
2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine
CID 79916834
N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662665
N-[1-(2-bromophenyl)ethyl]-4,4-dimethylthian-3-amine
CID 79951727
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 81383331) is N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine is C[C@H](NC1CC(C)(C)OC1(C)C)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is YHTUTUKVYUFCPD-ZSOXZCCMSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11(12-8-6-7-9-13(12)17)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-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 326.28 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 81383331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).