(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine

C12H16BrNO — CID 102946973

IUPAC(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(Br)cc1OCC1CC1
InChIInChI=1S/C12H16BrNO/c1-8(14)11-5-4-10(13)6-12(11)15-7-9-2-3-9/h4-6,8-9H,2-3,7,14H2,1H3/t8-/m0/s1
InChIKeyYAMMVZQEUDCEJL-QMMMGPOBSA-N
MW270.17 g/mol
LogP3.26
Rot. Bonds4

About (1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine

(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine (PubChem CID 102946973) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is (1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
PubChem CID102946973
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(Br)cc1OCC1CC1
InChIInChI=1S/C12H16BrNO/c1-8(14)11-5-4-10(13)6-12(11)15-7-9-2-3-9/h4-6,8-9H,2-3,7,14H2,1H3/t8-/m0/s1
InChIKeyYAMMVZQEUDCEJL-QMMMGPOBSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289
(1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133522
1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine
CID 114157575
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
(1R)-1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanamine
CID 63650863
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 102946292
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
(1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol
CID 106929847
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine (CID 102946973) is (1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine is C[C@H](N)c1ccc(Br)cc1OCC1CC1.
What is the InChIKey of (1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine?
The InChIKey is YAMMVZQEUDCEJL-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8(14)11-5-4-10(13)6-12(11)15-7-9-2-3-9/h4-6,8-9H,2-3,7,14H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine?
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine has a molecular weight of 270.17 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 102946973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).