N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine

C15H22BrNO — CID 55111579

IUPACN-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(Br)cc2)CCOC1
InChIInChI=1S/C15H22BrNO/c1-12(2)17-10-15(7-8-18-11-15)9-13-3-5-14(16)6-4-13/h3-6,12,17H,7-11H2,1-2H3
InChIKeyHLHGYNTUAFSAQL-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.40
Rot. Bonds5

About N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine

N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 55111579) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID55111579
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(Br)cc2)CCOC1
InChIInChI=1S/C15H22BrNO/c1-12(2)17-10-15(7-8-18-11-15)9-13-3-5-14(16)6-4-13/h3-6,12,17H,7-11H2,1-2H3
InChIKeyHLHGYNTUAFSAQL-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194612
N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718189
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62720101
N-[[4-[(3-bromophenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62907138
N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 64771405
N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718677
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718017
N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718517
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
CID 102940532
N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62718679
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024461

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 55111579) is N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(Cc2ccc(Br)cc2)CCOC1.
What is the InChIKey of N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is HLHGYNTUAFSAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12(2)17-10-15(7-8-18-11-15)9-13-3-5-14(16)6-4-13/h3-6,12,17H,7-11H2,1-2H3.
What are the key properties of N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 312.25 g/mol, XLogP of 3.40, 5 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]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55111579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).