2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine

C15H24BrN — CID 55195865

IUPAC2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)Cc1cccc(Br)c1
InChIInChI=1S/C15H24BrN/c1-4-9-17-12-15(3,5-2)11-13-7-6-8-14(16)10-13/h6-8,10,17H,4-5,9,11-12H2,1-3H3
InChIKeyJXTRPEOFVSPPFN-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.41
Rot. Bonds7

About 2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine

2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine (PubChem CID 55195865) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine
PubChem CID55195865
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)Cc1cccc(Br)c1
InChIInChI=1S/C15H24BrN/c1-4-9-17-12-15(3,5-2)11-13-7-6-8-14(16)10-13/h6-8,10,17H,4-5,9,11-12H2,1-3H3
InChIKeyJXTRPEOFVSPPFN-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494839
1-bromo-3-[2-(chloromethyl)-2-methylbutyl]benzene
CID 66036761
2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509171
2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propylpentan-1-amine
CID 63509767
2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509342
3-[(3-bromophenyl)methyl]pentan-3-amine
CID 60799234
3-[(3-bromophenyl)methyl]pentan-3-ol
CID 60799504
5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 64716821
2-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718469
N-[[3-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808184
1-(3-bromophenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335329
4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 81032768

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine (CID 55195865) is 2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine is CCCNCC(C)(CC)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine?
The InChIKey is JXTRPEOFVSPPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-4-9-17-12-15(3,5-2)11-13-7-6-8-14(16)10-13/h6-8,10,17H,4-5,9,11-12H2,1-3H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine?
2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 55195865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).