3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol

C13H18BrNO — CID 111147506

IUPAC3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol
SMILESOCCCNC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C13H18BrNO/c14-12-5-3-11(4-6-12)13(7-1-8-13)15-9-2-10-16/h3-6,15-16H,1-2,7-10H2
InChIKeyWFXQNVPVWZVYAI-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.80
Rot. Bonds5

About 3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol

3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol (PubChem CID 111147506) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol
PubChem CID111147506
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol
SMILESOCCCNC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C13H18BrNO/c14-12-5-3-11(4-6-12)13(7-1-8-13)15-9-2-10-16/h3-6,15-16H,1-2,7-10H2
InChIKeyWFXQNVPVWZVYAI-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.80
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

2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride
CID 119033400
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(3-hydroxypropyl)urea
CID 110902756
1-(4-bromophenyl)-N-ethylcyclopropan-1-amine
CID 126991156
1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide
CID 103767285
1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine
CID 126732576
1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 78845434
7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide
CID 119740974
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 110902757
5-[[1-(3-bromophenyl)cyclohexyl]amino]pentanoic acid
CID 122121818
2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol
CID 115673951
5-(4-bromoanilino)pentan-1-ol
CID 62227139
9-[2-[[1-(4-bromophenyl)cyclopropyl]amino]ethyl]-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-ol
CID 67996011

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol (CID 111147506) is 3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol is OCCCNC1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol?
The InChIKey is WFXQNVPVWZVYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-12-5-3-11(4-6-12)13(7-1-8-13)15-9-2-10-16/h3-6,15-16H,1-2,7-10H2.
What are the key properties of 3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol?
3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol has a molecular weight of 284.20 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol is sourced from PubChem (CID 111147506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).