6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol

C16H24BrNO — CID 107849622

IUPAC6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
SMILESOCCCCCCNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C16H24BrNO/c17-16-8-4-3-7-15(16)13-11-14(12-13)18-9-5-1-2-6-10-19/h3-4,7-8,13-14,18-19H,1-2,5-6,9-12H2
InChIKeyVQZVWVAHPWDDPS-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.84
Rot. Bonds8

About 6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol

6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol (PubChem CID 107849622) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
PubChem CID107849622
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
SMILESOCCCCCCNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C16H24BrNO/c17-16-8-4-3-7-15(16)13-11-14(12-13)18-9-5-1-2-6-10-19/h3-4,7-8,13-14,18-19H,1-2,5-6,9-12H2
InChIKeyVQZVWVAHPWDDPS-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 106841126
5-[(3-phenylcyclobutyl)amino]pentan-1-ol
CID 107303071
3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516190
3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine
CID 106009029
N-[3-[[3-(2-bromophenyl)cyclobutyl]amino]propyl]methanesulfonamide
CID 106333342
3-(2-bromophenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82940585
3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine
CID 63824048
1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
CID 113497556
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106181318
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 43633263
3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide
CID 106172030

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol?
The IUPAC name of 6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol (CID 107849622) is 6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol?
The canonical SMILES for 6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol is OCCCCCCNC1CC(c2ccccc2Br)C1.
What is the InChIKey of 6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol?
The InChIKey is VQZVWVAHPWDDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c17-16-8-4-3-7-15(16)13-11-14(12-13)18-9-5-1-2-6-10-19/h3-4,7-8,13-14,18-19H,1-2,5-6,9-12H2.
What are the key properties of 6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol?
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol has a molecular weight of 326.28 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol is sourced from PubChem (CID 107849622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).