4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol

C16H24BrNO — CID 115149645

IUPAC4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol
SMILESCC(C)(CNC1CCC(O)CC1)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-16(2,12-4-3-5-13(17)10-12)11-18-14-6-8-15(19)9-7-14/h3-5,10,14-15,18-19H,6-9,11H2,1-2H3
InChIKeyHVMBKFIKCTVDRK-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.62
Rot. Bonds4

About 4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol

4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol (PubChem CID 115149645) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol
PubChem CID115149645
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol
SMILESCC(C)(CNC1CCC(O)CC1)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-16(2,12-4-3-5-13(17)10-12)11-18-14-6-8-15(19)9-7-14/h3-5,10,14-15,18-19H,6-9,11H2,1-2H3
InChIKeyHVMBKFIKCTVDRK-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol (CID 115149645) is 4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol is CC(C)(CNC1CCC(O)CC1)c1cccc(Br)c1.
What is the InChIKey of 4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol?
The InChIKey is HVMBKFIKCTVDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-16(2,12-4-3-5-13(17)10-12)11-18-14-6-8-15(19)9-7-14/h3-5,10,14-15,18-19H,6-9,11H2,1-2H3.
What are the key properties of 4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol?
4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol has a molecular weight of 326.28 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 115149645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).