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

C14H20BrNO — CID 65154712

IUPAC1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-16-14(9-8-13-3-2-10-17-13)11-4-6-12(15)7-5-11/h4-7,13-14,16H,2-3,8-10H2,1H3
InChIKeyPZJSFWAHJILTOY-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.67
Rot. Bonds5

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

1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65154712) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID65154712
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-16-14(9-8-13-3-2-10-17-13)11-4-6-12(15)7-5-11/h4-7,13-14,16H,2-3,8-10H2,1H3
InChIKeyPZJSFWAHJILTOY-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993732
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
N-methyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 115852134
1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 106848877
1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 107946074
N-methyl-3-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 63951733
1-(5-bromo-2-ethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156172
1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115861332
1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 114024223
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104991220
1-(2-bromo-4-methoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156141

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (CID 65154712) is 1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is CNC(CCC1CCCO1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is PZJSFWAHJILTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-16-14(9-8-13-3-2-10-17-13)11-4-6-12(15)7-5-11/h4-7,13-14,16H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.67, 5 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-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65154712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).