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

C14H20BrNO — CID 106840971

IUPAC4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
SMILESOCCCCNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C14H20BrNO/c15-13-5-3-4-11(8-13)12-9-14(10-12)16-6-1-2-7-17/h3-5,8,12,14,16-17H,1-2,6-7,9-10H2
InChIKeyYDWUOUBHFBNFBE-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.06
Rot. Bonds6

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

4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol (PubChem CID 106840971) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
PubChem CID106840971
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
SMILESOCCCCNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C14H20BrNO/c15-13-5-3-4-11(8-13)12-9-14(10-12)16-6-1-2-7-17/h3-5,8,12,14,16-17H,1-2,6-7,9-10H2
InChIKeyYDWUOUBHFBNFBE-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.06
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

5-[(3-phenylcyclobutyl)amino]pentan-1-ol
CID 107303071
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634794
3-[[3-(4-bromophenyl)cyclobutyl]amino]propan-1-ol
CID 43634672
ethyl 4-[[3-(3-bromophenyl)cyclobutyl]amino]butanoate
CID 64580836
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
CID 107849622
3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 83177483
3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol
CID 106704265
3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 106704300
3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine
CID 106704280

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol?
The IUPAC name of 4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol (CID 106840971) is 4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol.
What is the SMILES notation for 4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol?
The canonical SMILES for 4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol is OCCCCNC1CC(c2cccc(Br)c2)C1.
What is the InChIKey of 4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol?
The InChIKey is YDWUOUBHFBNFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-13-5-3-4-11(8-13)12-9-14(10-12)16-6-1-2-7-17/h3-5,8,12,14,16-17H,1-2,6-7,9-10H2.
What are the key properties of 4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol?
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol has a molecular weight of 298.22 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol is sourced from PubChem (CID 106840971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).