3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine

C18H25BrN2 — CID 60857287

IUPAC3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
SMILESBrc1cccc(C2CC(NCC3CCN(C4CC4)C3)C2)c1
InChIInChI=1S/C18H25BrN2/c19-16-3-1-2-14(8-16)15-9-17(10-15)20-11-13-6-7-21(12-13)18-4-5-18/h1-3,8,13,15,17-18,20H,4-7,9-12H2
InChIKeyHHYSUSMCZGHGSC-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.77
Rot. Bonds5

About 3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine

3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine (PubChem CID 60857287) has the molecular formula C18H25BrN2 and a molecular weight of 349.32 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
PubChem CID60857287
Molecular FormulaC18H25BrN2
Molecular Weight349.32 g/mol
Exact Mass348.12
IUPAC Name3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
SMILESBrc1cccc(C2CC(NCC3CCN(C4CC4)C3)C2)c1
InChIInChI=1S/C18H25BrN2/c19-16-3-1-2-14(8-16)15-9-17(10-15)20-11-13-6-7-21(12-13)18-4-5-18/h1-3,8,13,15,17-18,20H,4-7,9-12H2
InChIKeyHHYSUSMCZGHGSC-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 60856760
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
CID 63452022
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 106704300
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82011609
4-(3-bromophenyl)-1-piperidin-4-ylpiperidine
CID 84605686
3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 64623574
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658574
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine
CID 155891929

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine (CID 60857287) is 3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine is Brc1cccc(C2CC(NCC3CCN(C4CC4)C3)C2)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is HHYSUSMCZGHGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2/c19-16-3-1-2-14(8-16)15-9-17(10-15)20-11-13-6-7-21(12-13)18-4-5-18/h1-3,8,13,15,17-18,20H,4-7,9-12H2.
What are the key properties of 3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 349.32 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 60857287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).