[1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine

C18H28BrNO — CID 65423148

IUPAC[1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H28BrNO/c1-14(2)15-7-9-18(13-20,10-8-15)11-12-21-17-5-3-16(19)4-6-17/h3-6,14-15H,7-13,20H2,1-2H3
InChIKeySXHLXRPVUKEDRC-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.01
Rot. Bonds6

About [1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine

[1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 65423148) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is [1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine
PubChem CID65423148
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name[1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H28BrNO/c1-14(2)15-7-9-18(13-20,10-8-15)11-12-21-17-5-3-16(19)4-6-17/h3-6,14-15H,7-13,20H2,1-2H3
InChIKeySXHLXRPVUKEDRC-UHFFFAOYSA-N
XLogP5.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine
CID 65393492
[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine
CID 55107164
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 66026893
[4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine
CID 106459327
[3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine
CID 114533972
4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol
CID 84779704
[1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 106273588
1-bromo-4-[2-(2-chloro-5-propan-2-ylcyclohexyl)ethoxy]benzene
CID 63472442
[1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine
CID 65425267
2-[2-(4-bromophenoxy)ethylsulfanyl]propan-1-amine
CID 66243938
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63507679
[1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine
CID 65407520

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine (CID 65423148) is [1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)(CCOc2ccc(Br)cc2)CC1.
What is the InChIKey of [1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is SXHLXRPVUKEDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-14(2)15-7-9-18(13-20,10-8-15)11-12-21-17-5-3-16(19)4-6-17/h3-6,14-15H,7-13,20H2,1-2H3.
What are the key properties of [1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine?
[1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 354.33 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 65423148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).