(1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine

C14H20BrNO2 — CID 103133522

IUPAC(1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
SMILESCC1CCC(COc2cc(Br)ccc2[C@@H](C)N)O1
InChIInChI=1S/C14H20BrNO2/c1-9-3-5-12(18-9)8-17-14-7-11(15)4-6-13(14)10(2)16/h4,6-7,9-10,12H,3,5,8,16H2,1-2H3/t9?,10-,12?/m1/s1
InChIKeyWOQDQZBIWKSYPQ-SQLBVSGCSA-N
MW314.22 g/mol
LogP3.42
Rot. Bonds4

About (1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine

(1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine (PubChem CID 103133522) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
PubChem CID103133522
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
SMILESCC1CCC(COc2cc(Br)ccc2[C@@H](C)N)O1
InChIInChI=1S/C14H20BrNO2/c1-9-3-5-12(18-9)8-17-14-7-11(15)4-6-13(14)10(2)16/h4,6-7,9-10,12H,3,5,8,16H2,1-2H3/t9?,10-,12?/m1/s1
InChIKeyWOQDQZBIWKSYPQ-SQLBVSGCSA-N
XLogP3.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133258
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 102946269
5-bromo-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid
CID 103134531
(1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133470
1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine
CID 114157575
1-[4-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135196
1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 102946292
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133228
(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine
CID 102946785
1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520805

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine (CID 103133522) is (1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine is CC1CCC(COc2cc(Br)ccc2[C@@H](C)N)O1.
What is the InChIKey of (1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is WOQDQZBIWKSYPQ-SQLBVSGCSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9-3-5-12(18-9)8-17-14-7-11(15)4-6-13(14)10(2)16/h4,6-7,9-10,12H,3,5,8,16H2,1-2H3/t9?,10-,12?/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
(1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 314.22 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 103133522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).