5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine

C16H26BrN — CID 64716821

IUPAC5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H26BrN/c1-5-9-18-13(2)11-16(3,4)12-14-7-6-8-15(17)10-14/h6-8,10,13,18H,5,9,11-12H2,1-4H3
InChIKeyZAOIKKQNJLOQER-UHFFFAOYSA-N
MW312.30 g/mol
LogP4.80
Rot. Bonds7

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

5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine (PubChem CID 64716821) has the molecular formula C16H26BrN and a molecular weight of 312.30 g/mol. Its IUPAC name is 5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine
PubChem CID64716821
Molecular FormulaC16H26BrN
Molecular Weight312.30 g/mol
Exact Mass311.12
IUPAC Name5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H26BrN/c1-5-9-18-13(2)11-16(3,4)12-14-7-6-8-15(17)10-14/h6-8,10,13,18H,5,9,11-12H2,1-4H3
InChIKeyZAOIKKQNJLOQER-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 54.80
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)-N,4,4-trimethylpentan-2-amine
CID 64715737
5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 79712186
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
N-ethyl-4,4-dimethyl-5-(3-methylphenyl)pentan-2-amine
CID 64717868
4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine
CID 64715133
4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 81032768
1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65128704
N-[1-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63349047
N-[(3-bromophenyl)methyl]pentan-2-amine
CID 43177710
2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 55195865

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The IUPAC name of 5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine (CID 64716821) is 5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine is CCCNC(C)CC(C)(C)Cc1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The InChIKey is ZAOIKKQNJLOQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-5-9-18-13(2)11-16(3,4)12-14-7-6-8-15(17)10-14/h6-8,10,13,18H,5,9,11-12H2,1-4H3.
What are the key properties of 5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine has a molecular weight of 312.30 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine is sourced from PubChem (CID 64716821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).