[1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine

C17H26BrNO — CID 65395564

IUPAC[1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(Cc2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C17H26BrNO/c1-3-13-6-8-17(12-19,9-7-13)11-14-4-5-16(20-2)15(18)10-14/h4-5,10,13H,3,6-9,11-12,19H2,1-2H3
InChIKeyONNSIRXTAVEUCQ-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.55
Rot. Bonds5

About [1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine

[1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine (PubChem CID 65395564) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is [1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine
PubChem CID65395564
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name[1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(Cc2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C17H26BrNO/c1-3-13-6-8-17(12-19,9-7-13)11-14-4-5-16(20-2)15(18)10-14/h4-5,10,13H,3,6-9,11-12,19H2,1-2H3
InChIKeyONNSIRXTAVEUCQ-UHFFFAOYSA-N
XLogP4.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine with MolForge

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65394935
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64514304
[1-(aminomethyl)-4-ethylcyclohexyl]-(3-bromo-4-methoxyphenyl)methanol
CID 79126161
[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine
CID 65394529
[1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65424670
[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65392864
[1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine
CID 65395570
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
[1-[(4-methoxy-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82283087
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexane-1-carboxylic acid
CID 65403118
[1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65423317
[2-[(3-bromo-4-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 55106776

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine?
The IUPAC name of [1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine (CID 65395564) is [1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)(Cc2ccc(OC)c(Br)c2)CC1.
What is the InChIKey of [1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine?
The InChIKey is ONNSIRXTAVEUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-3-13-6-8-17(12-19,9-7-13)11-14-4-5-16(20-2)15(18)10-14/h4-5,10,13H,3,6-9,11-12,19H2,1-2H3.
What are the key properties of [1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine?
[1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine has a molecular weight of 340.31 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 65395564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).