[1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine

C17H26BrNO — CID 65389985

IUPAC[1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
SMILESCOc1ccc(Br)c(CC2(CN)CCC(C)(C)CC2)c1
InChIInChI=1S/C17H26BrNO/c1-16(2)6-8-17(12-19,9-7-16)11-13-10-14(20-3)4-5-15(13)18/h4-5,10H,6-9,11-12,19H2,1-3H3
InChIKeyALZQSPHKMZCHDZ-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.55
Rot. Bonds4

About [1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine

[1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine (PubChem CID 65389985) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is [1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
PubChem CID65389985
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name[1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
SMILESCOc1ccc(Br)c(CC2(CN)CCC(C)(C)CC2)c1
InChIInChI=1S/C17H26BrNO/c1-16(2)6-8-17(12-19,9-7-16)11-13-10-14(20-3)4-5-15(13)18/h4-5,10H,6-9,11-12,19H2,1-3H3
InChIKeyALZQSPHKMZCHDZ-UHFFFAOYSA-N
XLogP4.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine with MolForge

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Related Compounds

[4-[(2-bromo-5-methoxyphenyl)methyl]oxan-4-yl]methanamine
CID 65326731
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66026670
1-bromo-2-[(3-bromo-1-methylcyclopentyl)methyl]-4-methoxybenzene
CID 116540736
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685
3-[(2-bromo-5-methoxyphenyl)methyl]-3-methylcyclopentan-1-one
CID 116538441
3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol
CID 80561589
[3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-yl]methanol
CID 66060298
[1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine
CID 116929036
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
[1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65392363
N-[[3-[(2-bromo-5-methoxyphenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 65326682
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine (CID 65389985) is [1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine is COc1ccc(Br)c(CC2(CN)CCC(C)(C)CC2)c1.
What is the InChIKey of [1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is ALZQSPHKMZCHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-16(2)6-8-17(12-19,9-7-16)11-13-10-14(20-3)4-5-15(13)18/h4-5,10H,6-9,11-12,19H2,1-3H3.
What are the key properties of [1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
[1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 340.31 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 65389985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).