1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine

C11H16BrNO — CID 117398541

IUPAC1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(C(C)C)c(Br)c1
InChIInChI=1S/C11H16BrNO/c1-8(2)10-5-4-9(6-11(10)12)7-13-14-3/h4-6,8,13H,7H2,1-3H3
InChIKeyQILCKZSEYLNXMR-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.22
Rot. Bonds4

About 1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine

1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine (PubChem CID 117398541) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine
PubChem CID117398541
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(C(C)C)c(Br)c1
InChIInChI=1S/C11H16BrNO/c1-8(2)10-5-4-9(6-11(10)12)7-13-14-3/h4-6,8,13H,7H2,1-3H3
InChIKeyQILCKZSEYLNXMR-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-bromo-4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 117419019
1-(3-bromo-4-pentan-3-ylphenyl)-N-methoxymethanamine
CID 117461462
N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine
CID 117391754
2-bromo-4-ethyl-1-propan-2-ylbenzene
CID 71164366
(3-bromo-4-propan-2-ylphenyl)methanamine
CID 83840012
1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine
CID 117465379
1-(4-butan-2-yl-3-chlorophenyl)-N-methoxymethanamine
CID 117327954
1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine
CID 117480345
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117460986
3-(3-bromo-4-propan-2-ylphenyl)propanenitrile
CID 84804223
1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine
CID 117383021
1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine
CID 102837054

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine (CID 117398541) is 1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine is CONCc1ccc(C(C)C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine?
The InChIKey is QILCKZSEYLNXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(2)10-5-4-9(6-11(10)12)7-13-14-3/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine?
1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine has a molecular weight of 258.16 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117398541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).