3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine

C18H26BrNO2 — CID 120605728

IUPAC3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine
SMILESBrc1ccc(C2CC(NCCCOCC3CCCO3)C2)cc1
InChIInChI=1S/C18H26BrNO2/c19-16-6-4-14(5-7-16)15-11-17(12-15)20-8-2-9-21-13-18-3-1-10-22-18/h4-7,15,17-18,20H,1-3,8-13H2
InChIKeyYCVBOLFLPVWELT-UHFFFAOYSA-N
MW368.32 g/mol
LogP3.87
Rot. Bonds8

About 3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine

3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine (PubChem CID 120605728) has the molecular formula C18H26BrNO2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine
PubChem CID120605728
Molecular FormulaC18H26BrNO2
Molecular Weight368.32 g/mol
Exact Mass367.11
IUPAC Name3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine
SMILESBrc1ccc(C2CC(NCCCOCC3CCCO3)C2)cc1
InChIInChI=1S/C18H26BrNO2/c19-16-6-4-14(5-7-16)15-11-17(12-15)20-8-2-9-21-13-18-3-1-10-22-18/h4-7,15,17-18,20H,1-3,8-13H2
InChIKeyYCVBOLFLPVWELT-UHFFFAOYSA-N
XLogP3.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 54917361
3-(4-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61039964
N-[(4-bromo-2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115651725
3-[[3-(4-bromophenyl)cyclobutyl]amino]propan-1-ol
CID 43634672
5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine
CID 71871276
benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate
CID 103392907
1-[(4-bromophenyl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111750044
N-[3-(cyclopropylmethoxy)propyl]-3-phenylcyclobutan-1-amine
CID 43632261
1-[(4-bromophenyl)methyl]-1,2-dimethyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111292953
1-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 112834309
3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine
CID 115325074
N-[(4-bromo-3-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 103581519

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine (CID 120605728) is 3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine is Brc1ccc(C2CC(NCCCOCC3CCCO3)C2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine?
The InChIKey is YCVBOLFLPVWELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO2/c19-16-6-4-14(5-7-16)15-11-17(12-15)20-8-2-9-21-13-18-3-1-10-22-18/h4-7,15,17-18,20H,1-3,8-13H2.
What are the key properties of 3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine?
3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine has a molecular weight of 368.32 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine is sourced from PubChem (CID 120605728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).