5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine

C14H22BrN — CID 64715737

IUPAC5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine
SMILESCNC(C)CC(C)(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H22BrN/c1-11(16-4)9-14(2,3)10-12-6-5-7-13(15)8-12/h5-8,11,16H,9-10H2,1-4H3
InChIKeyYEXQKXHAZCVJBV-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.02
Rot. Bonds5

About 5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine

5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine (PubChem CID 64715737) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine
PubChem CID64715737
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine
SMILESCNC(C)CC(C)(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H22BrN/c1-11(16-4)9-14(2,3)10-12-6-5-7-13(15)8-12/h5-8,11,16H,9-10H2,1-4H3
InChIKeyYEXQKXHAZCVJBV-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717647
5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 64716821
1-bromo-3-(4-bromo-2,2-dimethylpentyl)benzene
CID 64718331
4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81022084
1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine
CID 115789167
4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 81032768
N-ethyl-4,4-dimethyl-5-(3-methylphenyl)pentan-2-amine
CID 64717868
1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine
CID 169435063
1-(3-bromophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131430
N-[(3-bromophenyl)methyl]pentan-2-amine
CID 43177710
5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 79712186
N-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine?
The IUPAC name of 5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine (CID 64715737) is 5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine is CNC(C)CC(C)(C)Cc1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine?
The InChIKey is YEXQKXHAZCVJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-11(16-4)9-14(2,3)10-12-6-5-7-13(15)8-12/h5-8,11,16H,9-10H2,1-4H3.
What are the key properties of 5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine?
5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine has a molecular weight of 284.24 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 64715737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).