2-[(4-bromophenyl)methylidene]butan-1-amine

C11H14BrN — CID 79323672

IUPAC2-[(4-bromophenyl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc(Br)cc1)CN
InChIInChI=1S/C11H14BrN/c1-2-9(8-13)7-10-3-5-11(12)6-4-10/h3-7H,2,8,13H2,1H3
InChIKeyPGYXSOIKCDVXGB-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.20
Rot. Bonds3

About 2-[(4-bromophenyl)methylidene]butan-1-amine

2-[(4-bromophenyl)methylidene]butan-1-amine (PubChem CID 79323672) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylidene]butan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylidene]butan-1-amine
PubChem CID79323672
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name2-[(4-bromophenyl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc(Br)cc1)CN
InChIInChI=1S/C11H14BrN/c1-2-9(8-13)7-10-3-5-11(12)6-4-10/h3-7H,2,8,13H2,1H3
InChIKeyPGYXSOIKCDVXGB-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z)-2-[(3-bromo-4-methylphenyl)methylidene]butan-1-amine
CID 105411779
2-[(4-methoxyphenyl)methylidene]butan-1-amine
CID 79321876
2-[(4-ethoxyphenyl)methylidene]butan-1-amine
CID 79322388
2-[(5-bromofuran-2-yl)methylidene]butan-1-amine
CID 79322611
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylidene]butan-1-amine
CID 79321875
(2Z)-2-[(2,3,6-trichlorophenyl)methylidene]butan-1-amine
CID 79322402
1-bromo-4-[3-[(4-bromophenyl)methylidene]-2-butylhept-1-enyl]benzene
CID 87701938
ethyl (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanoate
CID 5388614
2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine
CID 79322615
(Z)-3-bromo-4-(4-bromophenyl)but-3-en-2-one
CID 132550401
1-[2-(bromomethyl)but-1-enyl]-4-methylsulfanylbenzene
CID 79323960
(E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine
CID 70638439

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylidene]butan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methylidene]butan-1-amine (CID 79323672) is 2-[(4-bromophenyl)methylidene]butan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methylidene]butan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methylidene]butan-1-amine is CCC(=Cc1ccc(Br)cc1)CN.
What is the InChIKey of 2-[(4-bromophenyl)methylidene]butan-1-amine?
The InChIKey is PGYXSOIKCDVXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-2-9(8-13)7-10-3-5-11(12)6-4-10/h3-7H,2,8,13H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methylidene]butan-1-amine?
2-[(4-bromophenyl)methylidene]butan-1-amine has a molecular weight of 240.14 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79323672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).