N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine

C13H18BrN — CID 103522481

IUPACN-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrN/c1-10(2)9-15-11(3)8-12-4-6-13(14)7-5-12/h4-7,11,15H,1,8-9H2,2-3H3
InChIKeyVHDNMKUSHCFCAE-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.55
Rot. Bonds5

About N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine

N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine (PubChem CID 103522481) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine
PubChem CID103522481
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrN/c1-10(2)9-15-11(3)8-12-4-6-13(14)7-5-12/h4-7,11,15H,1,8-9H2,2-3H3
InChIKeyVHDNMKUSHCFCAE-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.55
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

2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide
CID 103522190
2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide
CID 103522146
2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol
CID 103522264
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol
CID 103522473
1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
CID 103522246
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide
CID 43783642
1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine
CID 115652236
(E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine
CID 103522298
1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
CID 60789791
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzene-1,3-diol
CID 43695780

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine (CID 103522481) is N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine is C=C(C)CNC(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine?
The InChIKey is VHDNMKUSHCFCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-10(2)9-15-11(3)8-12-4-6-13(14)7-5-12/h4-7,11,15H,1,8-9H2,2-3H3.
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine?
N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine has a molecular weight of 268.20 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 103522481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).