1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine

C12H16BrNO2 — CID 117460986

IUPAC1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(OCC2CC2)c(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-15-14-7-10-4-5-12(11(13)6-10)16-8-9-2-3-9/h4-6,9,14H,2-3,7-8H2,1H3
InChIKeyFBEQTWMACBNLQI-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.89
Rot. Bonds6

About 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine

1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine (PubChem CID 117460986) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
PubChem CID117460986
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(OCC2CC2)c(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-15-14-7-10-4-5-12(11(13)6-10)16-8-9-2-3-9/h4-6,9,14H,2-3,7-8H2,1H3
InChIKeyFBEQTWMACBNLQI-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.89
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

2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene
CID 139341709
1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296328
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117460987
[3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929795
[3-bromo-4-(cyclohexylmethoxy)phenyl]methanamine
CID 63046526
1-[2-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296327
O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
CID 117461132
N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
CID 117319960
1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine
CID 117480345
N-[[3-bromo-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63045859

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine (CID 117460986) is 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine is CONCc1ccc(OCC2CC2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine?
The InChIKey is FBEQTWMACBNLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-15-14-7-10-4-5-12(11(13)6-10)16-8-9-2-3-9/h4-6,9,14H,2-3,7-8H2,1H3.
What are the key properties of 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine?
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine has a molecular weight of 286.17 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine is sourced from PubChem (CID 117460986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).