N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine

C17H22BrN — CID 65009612

IUPACN-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
SMILESBrc1cccc(C2(CNC3CC3)CC3(CCC3)C2)c1
InChIInChI=1S/C17H22BrN/c18-14-4-1-3-13(9-14)17(12-19-15-5-6-15)10-16(11-17)7-2-8-16/h1,3-4,9,15,19H,2,5-8,10-12H2
InChIKeyKFLSWOLYYMQHBS-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.40
Rot. Bonds4

About N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine

N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine (PubChem CID 65009612) has the molecular formula C17H22BrN and a molecular weight of 320.27 g/mol. Its IUPAC name is N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
PubChem CID65009612
Molecular FormulaC17H22BrN
Molecular Weight320.27 g/mol
Exact Mass319.09
IUPAC NameN-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
SMILESBrc1cccc(C2(CNC3CC3)CC3(CCC3)C2)c1
InChIInChI=1S/C17H22BrN/c18-14-4-1-3-13(9-14)17(12-19-15-5-6-15)10-16(11-17)7-2-8-16/h1,3-4,9,15,19H,2,5-8,10-12H2
InChIKeyKFLSWOLYYMQHBS-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine
CID 62595905
N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009010
N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65002883
4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030570
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008821
N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009127
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009606
[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine
CID 65003118
N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65003222
N-[[2-(4-bromophenyl)-7-oxaspiro[3.5]nonan-2-yl]methyl]cyclopropanamine
CID 65006458
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008399
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008548

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine (CID 65009612) is N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine is Brc1cccc(C2(CNC3CC3)CC3(CCC3)C2)c1.
What is the InChIKey of N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
The InChIKey is KFLSWOLYYMQHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN/c18-14-4-1-3-13(9-14)17(12-19-15-5-6-15)10-16(11-17)7-2-8-16/h1,3-4,9,15,19H,2,5-8,10-12H2.
What are the key properties of N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine has a molecular weight of 320.27 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65009612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).