4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine

C18H30BrNO — CID 65433973

IUPAC4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine
SMILESCOc1cc(C)c(Br)cc1CCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C18H30BrNO/c1-13-10-16(21-7)14(11-15(13)19)8-9-18(5,6)12-20-17(2,3)4/h10-11,20H,8-9,12H2,1-7H3
InChIKeyKOFGVMRCNHPQLC-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.11
Rot. Bonds6

About 4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine

4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine (PubChem CID 65433973) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine
PubChem CID65433973
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC Name4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine
SMILESCOc1cc(C)c(Br)cc1CCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C18H30BrNO/c1-13-10-16(21-7)14(11-15(13)19)8-9-18(5,6)12-20-17(2,3)4/h10-11,20H,8-9,12H2,1-7H3
InChIKeyKOFGVMRCNHPQLC-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-2-methoxy-4-methylphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 65433588
4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine
CID 81470717
4-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 103396834
5-(5-bromo-4-fluoro-2-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 103396878
5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65433204
4-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65433200
5-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65432429
N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine
CID 65434549
N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308359
N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204410
4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306595
2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine
CID 116925195

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine (CID 65433973) is 4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine is COc1cc(C)c(Br)cc1CCC(C)(C)CNC(C)(C)C.
What is the InChIKey of 4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine?
The InChIKey is KOFGVMRCNHPQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-13-10-16(21-7)14(11-15(13)19)8-9-18(5,6)12-20-17(2,3)4/h10-11,20H,8-9,12H2,1-7H3.
What are the key properties of 4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine?
4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine has a molecular weight of 356.35 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65433973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).