(5-bromo-2-but-3-en-2-yloxyphenyl)methanamine

C11H14BrNO — CID 62387607

IUPAC(5-bromo-2-but-3-en-2-yloxyphenyl)methanamine
SMILESC=CC(C)Oc1ccc(Br)cc1CN
InChIInChI=1S/C11H14BrNO/c1-3-8(2)14-11-5-4-10(12)6-9(11)7-13/h3-6,8H,1,7,13H2,2H3
InChIKeyHMTWDSJTMKJWNC-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.86
Rot. Bonds4

About (5-bromo-2-but-3-en-2-yloxyphenyl)methanamine

(5-bromo-2-but-3-en-2-yloxyphenyl)methanamine (PubChem CID 62387607) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (5-bromo-2-but-3-en-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-but-3-en-2-yloxyphenyl)methanamine
PubChem CID62387607
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(5-bromo-2-but-3-en-2-yloxyphenyl)methanamine
SMILESC=CC(C)Oc1ccc(Br)cc1CN
InChIInChI=1S/C11H14BrNO/c1-3-8(2)14-11-5-4-10(12)6-9(11)7-13/h3-6,8H,1,7,13H2,2H3
InChIKeyHMTWDSJTMKJWNC-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5-bromo-2-but-3-en-2-yloxyphenyl)methanamine 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

(2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine
CID 62389675
[5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine
CID 114889945
[5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine
CID 103486275
2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine
CID 63326191
2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 60905780
2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide
CID 43125653
2-[2-(aminomethyl)-4-bromophenoxy]butanoic acid
CID 64669698
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene
CID 83933802
(5-bromo-2-propan-2-yloxyphenyl)methyl-prop-2-enylazanium
CID 7390206
1-(5-bromo-2-prop-2-enoxyphenyl)propan-2-amine
CID 60907452
4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene
CID 28981483

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-but-3-en-2-yloxyphenyl)methanamine?
The IUPAC name of (5-bromo-2-but-3-en-2-yloxyphenyl)methanamine (CID 62387607) is (5-bromo-2-but-3-en-2-yloxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-but-3-en-2-yloxyphenyl)methanamine?
The canonical SMILES for (5-bromo-2-but-3-en-2-yloxyphenyl)methanamine is C=CC(C)Oc1ccc(Br)cc1CN.
What is the InChIKey of (5-bromo-2-but-3-en-2-yloxyphenyl)methanamine?
The InChIKey is HMTWDSJTMKJWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-3-8(2)14-11-5-4-10(12)6-9(11)7-13/h3-6,8H,1,7,13H2,2H3.
What are the key properties of (5-bromo-2-but-3-en-2-yloxyphenyl)methanamine?
(5-bromo-2-but-3-en-2-yloxyphenyl)methanamine has a molecular weight of 256.14 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-but-3-en-2-yloxyphenyl)methanamine is sourced from PubChem (CID 62387607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).