N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine

C17H24BrNO2 — CID 103580850

IUPACN-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESCCCOc1ccc(Br)cc1CNC1CCOC1C1CC1
InChIInChI=1S/C17H24BrNO2/c1-2-8-20-16-6-5-14(18)10-13(16)11-19-15-7-9-21-17(15)12-3-4-12/h5-6,10,12,15,17,19H,2-4,7-9,11H2,1H3
InChIKeyOKRGNDSDBXEFBE-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.89
Rot. Bonds7

About N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine

N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine (PubChem CID 103580850) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
PubChem CID103580850
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC NameN-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESCCCOc1ccc(Br)cc1CNC1CCOC1C1CC1
InChIInChI=1S/C17H24BrNO2/c1-2-8-20-16-6-5-14(18)10-13(16)11-19-15-7-9-21-17(15)12-3-4-12/h5-6,10,12,15,17,19H,2-4,7-9,11H2,1H3
InChIKeyOKRGNDSDBXEFBE-UHFFFAOYSA-N
XLogP3.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 114544000
N-[(5-bromo-2-propoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29224673
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081811
N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 82725346
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine
CID 61482948
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864559
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 113227437
N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64929093
N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline
CID 65468190

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine (CID 103580850) is N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine is CCCOc1ccc(Br)cc1CNC1CCOC1C1CC1.
What is the InChIKey of N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is OKRGNDSDBXEFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-2-8-20-16-6-5-14(18)10-13(16)11-19-15-7-9-21-17(15)12-3-4-12/h5-6,10,12,15,17,19H,2-4,7-9,11H2,1H3.
What are the key properties of N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine?
N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 354.29 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103580850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).