1-(4-bromophenyl)-N-methylpent-4-en-2-amine

C12H16BrN — CID 61380777

IUPAC1-(4-bromophenyl)-N-methylpent-4-en-2-amine
SMILESC=CCC(Cc1ccc(Br)cc1)NC
InChIInChI=1S/C12H16BrN/c1-3-4-12(14-2)9-10-5-7-11(13)8-6-10/h3,5-8,12,14H,1,4,9H2,2H3
InChIKeyPVWBGDBOBWMSAK-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.16
Rot. Bonds5

About 1-(4-bromophenyl)-N-methylpent-4-en-2-amine

1-(4-bromophenyl)-N-methylpent-4-en-2-amine (PubChem CID 61380777) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methylpent-4-en-2-amine
PubChem CID61380777
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-(4-bromophenyl)-N-methylpent-4-en-2-amine
SMILESC=CCC(Cc1ccc(Br)cc1)NC
InChIInChI=1S/C12H16BrN/c1-3-4-12(14-2)9-10-5-7-11(13)8-6-10/h3,5-8,12,14H,1,4,9H2,2H3
InChIKeyPVWBGDBOBWMSAK-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
1-(4-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234248
1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine
CID 116660483
4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346323
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
CID 62602616
1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
CID 61064259
1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine
CID 116660523
1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105089113
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602232
1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412804
N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine
CID 116660539
1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methylpent-4-en-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-methylpent-4-en-2-amine (CID 61380777) is 1-(4-bromophenyl)-N-methylpent-4-en-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methylpent-4-en-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-methylpent-4-en-2-amine is C=CCC(Cc1ccc(Br)cc1)NC.
What is the InChIKey of 1-(4-bromophenyl)-N-methylpent-4-en-2-amine?
The InChIKey is PVWBGDBOBWMSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-3-4-12(14-2)9-10-5-7-11(13)8-6-10/h3,5-8,12,14H,1,4,9H2,2H3.
What are the key properties of 1-(4-bromophenyl)-N-methylpent-4-en-2-amine?
1-(4-bromophenyl)-N-methylpent-4-en-2-amine has a molecular weight of 254.17 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methylpent-4-en-2-amine is sourced from PubChem (CID 61380777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).