1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol

C12H16BrNO — CID 114474018

IUPAC1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1cc(Br)ccc1N
InChIInChI=1S/C12H16BrNO/c1-8(2)3-6-12(15)10-7-9(13)4-5-11(10)14/h4-5,7,12,15H,1,3,6,14H2,2H3
InChIKeyPSJJSFMGUXMBPA-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.42
Rot. Bonds4

About 1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol

1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol (PubChem CID 114474018) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol
PubChem CID114474018
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1cc(Br)ccc1N
InChIInChI=1S/C12H16BrNO/c1-8(2)3-6-12(15)10-7-9(13)4-5-11(10)14/h4-5,7,12,15H,1,3,6,14H2,2H3
InChIKeyPSJJSFMGUXMBPA-UHFFFAOYSA-N
XLogP3.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline
CID 105263475
1-(2-amino-5-bromophenyl)hexan-1-ol
CID 82703402
1-(2-amino-5-bromophenyl)undecan-1-ol
CID 82703415
1-(2-amino-5-bromophenyl)ethanol
CID 68865052
1-(2-bromo-5-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834630
5-bromo-2-(3-methylbut-3-enylsulfanyl)aniline
CID 114472724
1-(2-amino-5-bromophenyl)-2,2-dimethylpropan-1-ol
CID 82703334
[1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105336009
1-(2-amino-5-bromophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 82703485
1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867541
1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol
CID 82704231
1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834621

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol?
The IUPAC name of 1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol (CID 114474018) is 1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol is C=C(C)CCC(O)c1cc(Br)ccc1N.
What is the InChIKey of 1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol?
The InChIKey is PSJJSFMGUXMBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8(2)3-6-12(15)10-7-9(13)4-5-11(10)14/h4-5,7,12,15H,1,3,6,14H2,2H3.
What are the key properties of 1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol?
1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol has a molecular weight of 270.17 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol is sourced from PubChem (CID 114474018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).