[1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol

C16H24BrNO2 — CID 62552357

IUPAC[1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCCOc2ccc(Br)cc2)C1
InChIInChI=1S/C16H24BrNO2/c1-13-3-2-8-16(11-13,12-19)18-9-10-20-15-6-4-14(17)5-7-15/h4-7,13,18-19H,2-3,8-12H2,1H3
InChIKeySQLKEXZVDVPPOF-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.36
Rot. Bonds6

About [1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol

[1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol (PubChem CID 62552357) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is [1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol
PubChem CID62552357
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name[1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCCOc2ccc(Br)cc2)C1
InChIInChI=1S/C16H24BrNO2/c1-13-3-2-8-16(11-13,12-19)18-9-10-20-15-6-4-14(17)5-7-15/h4-7,13,18-19H,2-3,8-12H2,1H3
InChIKeySQLKEXZVDVPPOF-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[(3,5-dibromo-4-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62552336
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527403
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
CID 62526654
[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62553023
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenoxy)acetamide
CID 62527385
N-[(4-bromophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030016
[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699549
[4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol
CID 62526048
[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 63476984
[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol
CID 66410290
[1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol
CID 62518469

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol (CID 62552357) is [1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol is CC1CCCC(CO)(NCCOc2ccc(Br)cc2)C1.
What is the InChIKey of [1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol?
The InChIKey is SQLKEXZVDVPPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-13-3-2-8-16(11-13,12-19)18-9-10-20-15-6-4-14(17)5-7-15/h4-7,13,18-19H,2-3,8-12H2,1H3.
What are the key properties of [1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol?
[1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol has a molecular weight of 342.28 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 62552357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).