1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine

C12H18BrNO2 — CID 117465379

IUPAC1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine
SMILESCONCc1cc(Br)c(C(C)C)cc1OC
InChIInChI=1S/C12H18BrNO2/c1-8(2)10-6-12(15-3)9(5-11(10)13)7-14-16-4/h5-6,8,14H,7H2,1-4H3
InChIKeyNWKZAMRZWJUOCT-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.23
Rot. Bonds5

About 1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine

1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine (PubChem CID 117465379) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine
PubChem CID117465379
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine
SMILESCONCc1cc(Br)c(C(C)C)cc1OC
InChIInChI=1S/C12H18BrNO2/c1-8(2)10-6-12(15-3)9(5-11(10)13)7-14-16-4/h5-6,8,14H,7H2,1-4H3
InChIKeyNWKZAMRZWJUOCT-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol
CID 84709781
(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine
CID 84709439
1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117359818
1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-2-one
CID 117459128
1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine
CID 117398541
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117330350
1-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-N-methoxymethanamine
CID 117330353
1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117335514
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435
N-methoxy-1-(2-propan-2-ylphenyl)methanamine
CID 82600286
1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine
CID 117404014
N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine
CID 117331725

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine (CID 117465379) is 1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine is CONCc1cc(Br)c(C(C)C)cc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine?
The InChIKey is NWKZAMRZWJUOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-8(2)10-6-12(15-3)9(5-11(10)13)7-14-16-4/h5-6,8,14H,7H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine?
1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine has a molecular weight of 288.19 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117465379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).