1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine

C14H19BrClNO — CID 107946074

IUPAC1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H19BrClNO/c1-17-14(5-4-13-3-2-6-18-13)10-7-11(15)9-12(16)8-10/h7-9,13-14,17H,2-6H2,1H3
InChIKeyZHWPKTVRVOTFGJ-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.32
Rot. Bonds5

About 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine

1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 107946074) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID107946074
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H19BrClNO/c1-17-14(5-4-13-3-2-6-18-13)10-7-11(15)9-12(16)8-10/h7-9,13-14,17H,2-6H2,1H3
InChIKeyZHWPKTVRVOTFGJ-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chlorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 107946066
1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 107946069
1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 107947559
1-(3-bromo-4-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993732
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65164610
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105238607
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 65299103
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 105022709
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104991220

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (CID 107946074) is 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is CNC(CCC1CCCO1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is ZHWPKTVRVOTFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-17-14(5-4-13-3-2-6-18-13)10-7-11(15)9-12(16)8-10/h7-9,13-14,17H,2-6H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 332.67 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 107946074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).