[1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine

C17H26BrNO — CID 82832044

IUPAC[1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H26BrNO/c1-2-3-14-8-10-17(13-19,11-9-14)20-12-15-4-6-16(18)7-5-15/h4-7,14H,2-3,8-13,19H2,1H3
InChIKeyHTHZXBSHBDBMRT-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.65
Rot. Bonds6

About [1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine

[1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine (PubChem CID 82832044) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is [1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine
PubChem CID82832044
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name[1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H26BrNO/c1-2-3-14-8-10-17(13-19,11-9-14)20-12-15-4-6-16(18)7-5-15/h4-7,14H,2-3,8-13,19H2,1H3
InChIKeyHTHZXBSHBDBMRT-UHFFFAOYSA-N
XLogP4.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine (CID 82832044) is [1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(OCc2ccc(Br)cc2)CC1.
What is the InChIKey of [1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine?
The InChIKey is HTHZXBSHBDBMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-2-3-14-8-10-17(13-19,11-9-14)20-12-15-4-6-16(18)7-5-15/h4-7,14H,2-3,8-13,19H2,1H3.
What are the key properties of [1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine?
[1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine has a molecular weight of 340.31 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 82832044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).