2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine

C15H22BrNO — CID 103138809

IUPAC2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
SMILESCNCC(CC1CCC(C)O1)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-11-3-8-15(18-11)9-13(10-17-2)12-4-6-14(16)7-5-12/h4-7,11,13,15,17H,3,8-10H2,1-2H3
InChIKeyDNINTZPFJFUFOH-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.71
Rot. Bonds5

About 2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine

2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine (PubChem CID 103138809) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
PubChem CID103138809
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
SMILESCNCC(CC1CCC(C)O1)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-11-3-8-15(18-11)9-13(10-17-2)12-4-6-14(16)7-5-12/h4-7,11,13,15,17H,3,8-10H2,1-2H3
InChIKeyDNINTZPFJFUFOH-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138887
N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 103138828
(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836687
2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane
CID 103142699
2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine
CID 103138259
2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138163
1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330124
N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 103138764
N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
CID 103138876
N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine
CID 103138192
N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide
CID 146213555
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane
CID 103142724

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine (CID 103138809) is 2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine is CNCC(CC1CCC(C)O1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine?
The InChIKey is DNINTZPFJFUFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11-3-8-15(18-11)9-13(10-17-2)12-4-6-14(16)7-5-12/h4-7,11,13,15,17H,3,8-10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine?
2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine is sourced from PubChem (CID 103138809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).