N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine

C18H24BrNO — CID 104509960

IUPACN-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
SMILESBrc1ccc(CC2(CNC3CC3)CCOC2C2CC2)cc1
InChIInChI=1S/C18H24BrNO/c19-15-5-1-13(2-6-15)11-18(12-20-16-7-8-16)9-10-21-17(18)14-3-4-14/h1-2,5-6,14,16-17,20H,3-4,7-12H2
InChIKeySPUAWMCIFHAGMJ-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.93
Rot. Bonds6

About N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine (PubChem CID 104509960) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
PubChem CID104509960
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC NameN-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
SMILESBrc1ccc(CC2(CNC3CC3)CCOC2C2CC2)cc1
InChIInChI=1S/C18H24BrNO/c19-15-5-1-13(2-6-15)11-18(12-20-16-7-8-16)9-10-21-17(18)14-3-4-14/h1-2,5-6,14,16-17,20H,3-4,7-12H2
InChIKeySPUAWMCIFHAGMJ-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104810984
N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104509991
N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 104510024
[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol
CID 104510415
N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 113420877
[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 113420831
N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104510013
N-[[3-[(2-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534859
N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534816
N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106706218
3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol
CID 104509630
N-[[2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine
CID 106457296

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine (CID 104509960) is N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine is Brc1ccc(CC2(CNC3CC3)CCOC2C2CC2)cc1.
What is the InChIKey of N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is SPUAWMCIFHAGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c19-15-5-1-13(2-6-15)11-18(12-20-16-7-8-16)9-10-21-17(18)14-3-4-14/h1-2,5-6,14,16-17,20H,3-4,7-12H2.
What are the key properties of N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 350.30 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104509960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).