1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine

C13H18BrNO — CID 81330124

IUPAC1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccc(Br)cc1)C1CCC(C)O1
InChIInChI=1S/C13H18BrNO/c1-9-3-8-12(16-9)13(15-2)10-4-6-11(14)7-5-10/h4-7,9,12-13,15H,3,8H2,1-2H3
InChIKeyXKAKWZPNJYVGGS-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine

1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine (PubChem CID 81330124) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
PubChem CID81330124
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccc(Br)cc1)C1CCC(C)O1
InChIInChI=1S/C13H18BrNO/c1-9-3-8-12(16-9)13(15-2)10-4-6-11(14)7-5-10/h4-7,9,12-13,15H,3,8H2,1-2H3
InChIKeyXKAKWZPNJYVGGS-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 81329924
N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine
CID 115850967
N-methyl-1-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-methyloxolan-2-yl)methanamine
CID 81329816
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330123
N-methyl-1-(5-methyloxolan-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991165
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 104541691
3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one
CID 81329934
1-(4-bromo-2,5-difluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81331183
1-(2,3-dimethylphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 115850284
1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
CID 43481050
8-[methylamino-(5-methyloxolan-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525689
2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138809

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine (CID 81330124) is 1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine is CNC(c1ccc(Br)cc1)C1CCC(C)O1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The InChIKey is XKAKWZPNJYVGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-3-8-12(16-9)13(15-2)10-4-6-11(14)7-5-10/h4-7,9,12-13,15H,3,8H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine has a molecular weight of 284.20 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 81330124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).