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

C18H28BrNO — CID 65424670

IUPAC[1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(Cc2cc(Br)ccc2OC)CC1
InChIInChI=1S/C18H28BrNO/c1-3-4-14-7-9-18(13-20,10-8-14)12-15-11-16(19)5-6-17(15)21-2/h5-6,11,14H,3-4,7-10,12-13,20H2,1-2H3
InChIKeySPXANMXMHMPTOL-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.94
Rot. Bonds6

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

[1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine (PubChem CID 65424670) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is [1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
PubChem CID65424670
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name[1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(Cc2cc(Br)ccc2OC)CC1
InChIInChI=1S/C18H28BrNO/c1-3-4-14-7-9-18(13-20,10-8-14)12-15-11-16(19)5-6-17(15)21-2/h5-6,11,14H,3-4,7-10,12-13,20H2,1-2H3
InChIKeySPXANMXMHMPTOL-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

[1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65423317
[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine
CID 65394529
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol
CID 66023451
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 65194895
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 63509042
[2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012982
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
CID 66026762
[1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65423125
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline
CID 63455703
3-[(5-bromo-2-methoxyphenyl)methyl]thiolan-3-ol
CID 79950148
1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107450061

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine (CID 65424670) is [1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(Cc2cc(Br)ccc2OC)CC1.
What is the InChIKey of [1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine?
The InChIKey is SPXANMXMHMPTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-3-4-14-7-9-18(13-20,10-8-14)12-15-11-16(19)5-6-17(15)21-2/h5-6,11,14H,3-4,7-10,12-13,20H2,1-2H3.
What are the key properties of [1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine?
[1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine has a molecular weight of 354.33 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 65424670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).