(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine

C12H16BrNO2 — CID 117460840

IUPAC(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine
SMILESCOc1cc(Br)c(CN)cc1OC1CCC1
InChIInChI=1S/C12H16BrNO2/c1-15-11-6-10(13)8(7-14)5-12(11)16-9-3-2-4-9/h5-6,9H,2-4,7,14H2,1H3
InChIKeyOHCKYUGNNSCBDW-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.85
Rot. Bonds4

About (2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine

(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine (PubChem CID 117460840) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is (2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine
PubChem CID117460840
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine
SMILESCOc1cc(Br)c(CN)cc1OC1CCC1
InChIInChI=1S/C12H16BrNO2/c1-15-11-6-10(13)8(7-14)5-12(11)16-9-3-2-4-9/h5-6,9H,2-4,7,14H2,1H3
InChIKeyOHCKYUGNNSCBDW-UHFFFAOYSA-N
XLogP2.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499889
2-(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)acetonitrile
CID 117494859
N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine
CID 976640
2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499903
(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine
CID 16637954
2-bromo-5-cyclobutyloxy-4-methoxybenzonitrile
CID 117453047
2-cyclopentyloxy-4,5-dimethoxyaniline
CID 83008231
4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine
CID 117479607
(5-bromo-2-cyclopentyloxyphenyl)methanamine
CID 43125696
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117456463
5-(aminomethyl)-4-bromo-2-methoxybenzonitrile
CID 171014235
4-(2,5-dibromo-4-methoxyphenoxy)azepane
CID 79404103

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine?
The IUPAC name of (2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine (CID 117460840) is (2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine?
The canonical SMILES for (2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine is COc1cc(Br)c(CN)cc1OC1CCC1.
What is the InChIKey of (2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine?
The InChIKey is OHCKYUGNNSCBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-15-11-6-10(13)8(7-14)5-12(11)16-9-3-2-4-9/h5-6,9H,2-4,7,14H2,1H3.
What are the key properties of (2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine?
(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine has a molecular weight of 286.17 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine is sourced from PubChem (CID 117460840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).