[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine

C15H20BrNO — CID 113420831

IUPAC[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
SMILESNCC1(Cc2cccc(Br)c2)CCOC1C1CC1
InChIInChI=1S/C15H20BrNO/c16-13-3-1-2-11(8-13)9-15(10-17)6-7-18-14(15)12-4-5-12/h1-3,8,12,14H,4-7,9-10,17H2
InChIKeyJPHHIIHDVXDKPO-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.14
Rot. Bonds4

About [3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine

[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine (PubChem CID 113420831) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is [3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
PubChem CID113420831
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
SMILESNCC1(Cc2cccc(Br)c2)CCOC1C1CC1
InChIInChI=1S/C15H20BrNO/c16-13-3-1-2-11(8-13)9-15(10-17)6-7-18-14(15)12-4-5-12/h1-3,8,12,14H,4-7,9-10,17H2
InChIKeyJPHHIIHDVXDKPO-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509409
3-(bromomethyl)-2-cyclopropyl-3-[(3-methylphenyl)methyl]oxolane
CID 104510696
[3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 104810974
3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol
CID 104509630
N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104509960
N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114534984
3-(chloromethyl)-2-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]oxolane
CID 104510563
3-[(4-bromo-2-chlorophenyl)methyl]-3-(bromomethyl)-2-cyclopropyloxolane
CID 113471676
N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104810984
1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60799051
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82717967
[3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
CID 104510431

Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
The IUPAC name of [3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine (CID 113420831) is [3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
The canonical SMILES for [3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine is NCC1(Cc2cccc(Br)c2)CCOC1C1CC1.
What is the InChIKey of [3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
The InChIKey is JPHHIIHDVXDKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-13-3-1-2-11(8-13)9-15(10-17)6-7-18-14(15)12-4-5-12/h1-3,8,12,14H,4-7,9-10,17H2.
What are the key properties of [3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine has a molecular weight of 310.23 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine is sourced from PubChem (CID 113420831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).