[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine

C12H16BrNO — CID 65457318

IUPAC[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCC2CCC2)c(Br)c1
InChIInChI=1S/C12H16BrNO/c13-11-6-10(7-14)4-5-12(11)15-8-9-2-1-3-9/h4-6,9H,1-3,7-8,14H2
InChIKeyYPPGQUVBORUEOB-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.09
Rot. Bonds4

About [3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine

[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine (PubChem CID 65457318) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is [3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
PubChem CID65457318
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCC2CCC2)c(Br)c1
InChIInChI=1S/C12H16BrNO/c13-11-6-10(7-14)4-5-12(11)15-8-9-2-1-3-9/h4-6,9H,1-3,7-8,14H2
InChIKeyYPPGQUVBORUEOB-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-(cyclohexylmethoxy)phenyl]methanamine
CID 63046526
O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
CID 117461132
[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
CID 43122482
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
[4-(cyclopropylmethoxy)-3-iodophenyl]methanamine
CID 169488705
2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene
CID 139341709
[3-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine
CID 63771057
ethyl 3-[3-bromo-4-(cyclopentylmethoxy)phenyl]propanoate
CID 22559143
[5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine
CID 61344976
5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride
CID 68694681
[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
CID 65459443

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine (CID 65457318) is [3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine is NCc1ccc(OCC2CCC2)c(Br)c1.
What is the InChIKey of [3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine?
The InChIKey is YPPGQUVBORUEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-6-10(7-14)4-5-12(11)15-8-9-2-1-3-9/h4-6,9H,1-3,7-8,14H2.
What are the key properties of [3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine?
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine has a molecular weight of 270.17 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine is sourced from PubChem (CID 65457318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).