4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine

C16H26BrN — CID 81032768

IUPAC4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
SMILESCC(C)(CCNC(C)(C)C)Cc1cccc(Br)c1
InChIInChI=1S/C16H26BrN/c1-15(2,3)18-10-9-16(4,5)12-13-7-6-8-14(17)11-13/h6-8,11,18H,9-10,12H2,1-5H3
InChIKeyBNNAIAUEWUSPIL-UHFFFAOYSA-N
MW312.29 g/mol
LogP4.80
Rot. Bonds5

About 4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine

4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine (PubChem CID 81032768) has the molecular formula C16H26BrN and a molecular weight of 312.29 g/mol. Its IUPAC name is 4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
PubChem CID81032768
Molecular FormulaC16H26BrN
Molecular Weight312.29 g/mol
Exact Mass311.12
IUPAC Name4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
SMILESCC(C)(CCNC(C)(C)C)Cc1cccc(Br)c1
InChIInChI=1S/C16H26BrN/c1-15(2,3)18-10-9-16(4,5)12-13-7-6-8-14(17)11-13/h6-8,11,18H,9-10,12H2,1-5H3
InChIKeyBNNAIAUEWUSPIL-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81022084
5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717647
1-bromo-3-(4-bromo-2,2-dimethylpentyl)benzene
CID 64718331
5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine
CID 64715737
5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 64716821
N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine
CID 81033423
N-tert-butyl-4-(3-chloro-4-fluorophenyl)-3,3-dimethylbutan-1-amine
CID 103042326
2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 63496756
1-bromo-3-(3,3-dimethylbutyl)benzene
CID 58974913
2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 55195865
2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine
CID 63496194
3-N-[(3-bromophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134766

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine (CID 81032768) is 4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine is CC(C)(CCNC(C)(C)C)Cc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine?
The InChIKey is BNNAIAUEWUSPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-15(2,3)18-10-9-16(4,5)12-13-7-6-8-14(17)11-13/h6-8,11,18H,9-10,12H2,1-5H3.
What are the key properties of 4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine?
4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine has a molecular weight of 312.29 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 81032768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).