3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine

C11H16BrNO — CID 83901605

IUPAC3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine
SMILESCOCc1ccc(CCCN)cc1Br
InChIInChI=1S/C11H16BrNO/c1-14-8-10-5-4-9(3-2-6-13)7-11(10)12/h4-5,7H,2-3,6,8,13H2,1H3
InChIKeyFMGIJSDXPLWHSD-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.49
Rot. Bonds5

About 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine

3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine (PubChem CID 83901605) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine
PubChem CID83901605
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine
SMILESCOCc1ccc(CCCN)cc1Br
InChIInChI=1S/C11H16BrNO/c1-14-8-10-5-4-9(3-2-6-13)7-11(10)12/h4-5,7H,2-3,6,8,13H2,1H3
InChIKeyFMGIJSDXPLWHSD-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol
CID 117400911
2-[3-bromo-4-(methoxymethyl)phenyl]ethanol
CID 117364056
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol
CID 83904177
[4-(3-aminopropyl)-3-bromophenyl]methanol
CID 84802538
3-(2-bromo-4-methoxyphenyl)propan-1-amine
CID 82622371
N-[[3-bromo-4-(methoxymethyl)phenyl]methyl]ethanamine
CID 102772329
3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117304754
5-[3-bromo-4-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 113438566
3-[4-fluoro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117287231
[3-bromo-4-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103181139
[4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol
CID 172654460

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine?
The IUPAC name of 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine (CID 83901605) is 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine is COCc1ccc(CCCN)cc1Br.
What is the InChIKey of 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine?
The InChIKey is FMGIJSDXPLWHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-14-8-10-5-4-9(3-2-6-13)7-11(10)12/h4-5,7H,2-3,6,8,13H2,1H3.
What are the key properties of 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine?
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine has a molecular weight of 258.16 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 83901605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).