(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine

C14H20BrNO — CID 82836687

IUPAC(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CN[C@H](C)c2ccc(Br)cc2)O1
InChIInChI=1S/C14H20BrNO/c1-10-3-8-14(17-10)9-16-11(2)12-4-6-13(15)7-5-12/h4-7,10-11,14,16H,3,8-9H2,1-2H3/t10?,11-,14?/m1/s1
InChIKeyWQHOWAOEUGIQRM-IQLKVPPVSA-N
MW298.22 g/mol
LogP3.67
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine

(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 82836687) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID82836687
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CN[C@H](C)c2ccc(Br)cc2)O1
InChIInChI=1S/C14H20BrNO/c1-10-3-8-14(17-10)9-16-11(2)12-4-6-13(15)7-5-12/h4-7,10-11,14,16H,3,8-9H2,1-2H3/t10?,11-,14?/m1/s1
InChIKeyWQHOWAOEUGIQRM-IQLKVPPVSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834989
4-[1-[(5-methyloxolan-2-yl)methylamino]ethyl]benzonitrile
CID 82833990
1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834051
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
1-(1,3-benzodioxol-5-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833988
(1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836690
(1S)-1-(4-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81359380
(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 81354216
2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138809
1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82835073
1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 82834259
N-[(5-methyloxolan-2-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 82835445

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine (CID 82836687) is (1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine is CC1CCC(CN[C@H](C)c2ccc(Br)cc2)O1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is WQHOWAOEUGIQRM-IQLKVPPVSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-3-8-14(17-10)9-16-11(2)12-4-6-13(15)7-5-12/h4-7,10-11,14,16H,3,8-9H2,1-2H3/t10?,11-,14?/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 82836687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).