4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine

C16H26BrN — CID 114249367

IUPAC4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCNCC(C)(C)CCc1c(C)cc(C)c(Br)c1C
InChIInChI=1S/C16H26BrN/c1-11-9-12(2)15(17)13(3)14(11)7-8-16(4,5)10-18-6/h9,18H,7-8,10H2,1-6H3
InChIKeyWGAHVFDKSYNKTR-UHFFFAOYSA-N
MW312.30 g/mol
LogP4.55
Rot. Bonds5

About 4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine

4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine (PubChem CID 114249367) has the molecular formula C16H26BrN and a molecular weight of 312.30 g/mol. Its IUPAC name is 4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine
PubChem CID114249367
Molecular FormulaC16H26BrN
Molecular Weight312.30 g/mol
Exact Mass311.12
IUPAC Name4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCNCC(C)(C)CCc1c(C)cc(C)c(Br)c1C
InChIInChI=1S/C16H26BrN/c1-11-9-12(2)15(17)13(3)14(11)7-8-16(4,5)10-18-6/h9,18H,7-8,10H2,1-6H3
InChIKeyWGAHVFDKSYNKTR-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 65308881
4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine
CID 81470717
2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 65308875
2,2-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 65308686
2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 84709440
4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 65306198
N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62726130
4-(5,5-dimethylhexyl)-1-(7,7-dimethyloctyl)-2,3,5-trimethylbenzene
CID 174103758
2,2-dimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 65301160
4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 65306070
N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
CID 65304714
2,3-bis(7,7-dimethyloctyl)-1,4,5-trimethylbenzene
CID 164594979

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine?
The IUPAC name of 4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine (CID 114249367) is 4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine.
What is the SMILES notation for 4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine?
The canonical SMILES for 4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine is CNCC(C)(C)CCc1c(C)cc(C)c(Br)c1C.
What is the InChIKey of 4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine?
The InChIKey is WGAHVFDKSYNKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-11-9-12(2)15(17)13(3)14(11)7-8-16(4,5)10-18-6/h9,18H,7-8,10H2,1-6H3.
What are the key properties of 4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine?
4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine has a molecular weight of 312.30 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,4,6-trimethylphenyl)-N,2,2-trimethylbutan-1-amine is sourced from PubChem (CID 114249367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).