[2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine

C18H28BrNO — CID 81012982

IUPAC[2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Cc2cc(Br)ccc2OC)C1
InChIInChI=1S/C18H28BrNO/c1-3-4-13-5-6-14(12-20)15(9-13)10-16-11-17(19)7-8-18(16)21-2/h7-8,11,13-15H,3-6,9-10,12,20H2,1-2H3
InChIKeyDHOMAJPEQYYUDQ-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.79
Rot. Bonds6

About [2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine

[2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine (PubChem CID 81012982) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is [2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
PubChem CID81012982
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name[2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Cc2cc(Br)ccc2OC)C1
InChIInChI=1S/C18H28BrNO/c1-3-4-13-5-6-14(12-20)15(9-13)10-16-11-17(19)7-8-18(16)21-2/h7-8,11,13-15H,3-6,9-10,12,20H2,1-2H3
InChIKeyDHOMAJPEQYYUDQ-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine with MolForge

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 81014703
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81018146
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017189
[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine
CID 43293990
[1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65424670
4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926328
4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene
CID 63472769
[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012992
[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81011460
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
1-[(5-bromo-2-methoxyphenyl)methyl]-3-chlorocycloheptane
CID 64509087
2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 54971608

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine (CID 81012982) is [2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Cc2cc(Br)ccc2OC)C1.
What is the InChIKey of [2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine?
The InChIKey is DHOMAJPEQYYUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-3-4-13-5-6-14(12-20)15(9-13)10-16-11-17(19)7-8-18(16)21-2/h7-8,11,13-15H,3-6,9-10,12,20H2,1-2H3.
What are the key properties of [2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine?
[2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine has a molecular weight of 354.33 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 81012982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).