N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine

C15H24BrNO2 — CID 66537181

IUPACN-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine
SMILESCCCCNCc1c(Br)ccc(OC)c1OCCC
InChIInChI=1S/C15H24BrNO2/c1-4-6-9-17-11-12-13(16)7-8-14(18-3)15(12)19-10-5-2/h7-8,17H,4-6,9-11H2,1-3H3
InChIKeyMCCMKAFCOHUSQA-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.14
Rot. Bonds9

About N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine

N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine (PubChem CID 66537181) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine
PubChem CID66537181
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC NameN-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine
SMILESCCCCNCc1c(Br)ccc(OC)c1OCCC
InChIInChI=1S/C15H24BrNO2/c1-4-6-9-17-11-12-13(16)7-8-14(18-3)15(12)19-10-5-2/h7-8,17H,4-6,9-11H2,1-3H3
InChIKeyMCCMKAFCOHUSQA-UHFFFAOYSA-N
XLogP4.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-bromo-3-methoxy-2-propoxyphenyl)methylamino]ethanol
CID 66537178
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]pentan-1-amine
CID 66537363
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]octan-1-amine
CID 66537434
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine
CID 66537350
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 66537190
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 66537135
N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 66539002
N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 66536990
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 66536502
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66538948
2-[2-[(6-bromo-2-ethoxy-3-methoxyphenyl)methylamino]ethylamino]ethanol
CID 66538981
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 66537297

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine?
The IUPAC name of N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine (CID 66537181) is N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine is CCCCNCc1c(Br)ccc(OC)c1OCCC.
What is the InChIKey of N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine?
The InChIKey is MCCMKAFCOHUSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-4-6-9-17-11-12-13(16)7-8-14(18-3)15(12)19-10-5-2/h7-8,17H,4-6,9-11H2,1-3H3.
What are the key properties of N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine?
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 66537181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).