[3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine

C14H19BrN2O — CID 104810974

IUPAC[3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
SMILESNCC1(Cc2ccc(Br)cn2)CCOC1C1CC1
InChIInChI=1S/C14H19BrN2O/c15-11-3-4-12(17-8-11)7-14(9-16)5-6-18-13(14)10-1-2-10/h3-4,8,10,13H,1-2,5-7,9,16H2
InChIKeyICNKFXBCOFPRMB-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.53
Rot. Bonds4

About [3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine

[3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine (PubChem CID 104810974) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is [3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
PubChem CID104810974
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name[3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
SMILESNCC1(Cc2ccc(Br)cn2)CCOC1C1CC1
InChIInChI=1S/C14H19BrN2O/c15-11-3-4-12(17-8-11)7-14(9-16)5-6-18-13(14)10-1-2-10/h3-4,8,10,13H,1-2,5-7,9,16H2
InChIKeyICNKFXBCOFPRMB-UHFFFAOYSA-N
XLogP2.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 113420831
[2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509406
[2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509409
[3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 106869658
[2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine
CID 104812971
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
4-[(5-bromo-2-pyridinyl)methyl]-2-methyloxan-4-ol
CID 104802016
N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104509960
[4-[(5-bromo-2-pyridinyl)methyl]oxan-4-yl]methanol
CID 104813123
1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104802926
1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 104801440
[2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanamine
CID 113420837

Frequently Asked Questions

What is the IUPAC name of [3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
The IUPAC name of [3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine (CID 104810974) is [3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
The canonical SMILES for [3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine is NCC1(Cc2ccc(Br)cn2)CCOC1C1CC1.
What is the InChIKey of [3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
The InChIKey is ICNKFXBCOFPRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-11-3-4-12(17-8-11)7-14(9-16)5-6-18-13(14)10-1-2-10/h3-4,8,10,13H,1-2,5-7,9,16H2.
What are the key properties of [3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
[3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine has a molecular weight of 311.22 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine is sourced from PubChem (CID 104810974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).