N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

C15H21BrClNO — CID 83241634

IUPACN-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCOC1c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H21BrClNO/c1-10(2)8-18-9-12-5-6-19-15(12)11-3-4-14(17)13(16)7-11/h3-4,7,10,12,15,18H,5-6,8-9H2,1-2H3
InChIKeyNAXKCAKEOXJYNC-UHFFFAOYSA-N
MW346.70 g/mol
LogP4.43
Rot. Bonds5

About N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 83241634) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID83241634
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC NameN-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCOC1c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H21BrClNO/c1-10(2)8-18-9-12-5-6-19-15(12)11-3-4-14(17)13(16)7-11/h3-4,7,10,12,15,18H,5-6,8-9H2,1-2H3
InChIKeyNAXKCAKEOXJYNC-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]ethanamine
CID 83241190
N-[[2-(4-chloro-3-fluorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79365307
N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79367996
N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364574
N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364794
N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79365705
N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 81441664
N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364973
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 113344558
N-[[2-(3-bromophenyl)oxolan-3-yl]methyl]ethanamine
CID 79368720
N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79371187
N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368166

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 83241634) is N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCOC1c1ccc(Cl)c(Br)c1.
What is the InChIKey of N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NAXKCAKEOXJYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO/c1-10(2)8-18-9-12-5-6-19-15(12)11-3-4-14(17)13(16)7-11/h3-4,7,10,12,15,18H,5-6,8-9H2,1-2H3.
What are the key properties of N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 346.70 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 83241634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).