1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine

C14H22BrN3 — CID 55019574

IUPAC1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCC(N)C(c1cccc(Br)c1)N1CCN(C)CC1
InChIInChI=1S/C14H22BrN3/c1-11(16)14(12-4-3-5-13(15)10-12)18-8-6-17(2)7-9-18/h3-5,10-11,14H,6-9,16H2,1-2H3
InChIKeyRUDLLMYILNSNLF-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.08
Rot. Bonds3

About 1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine

1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine (PubChem CID 55019574) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
PubChem CID55019574
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCC(N)C(c1cccc(Br)c1)N1CCN(C)CC1
InChIInChI=1S/C14H22BrN3/c1-11(16)14(12-4-3-5-13(15)10-12)18-8-6-17(2)7-9-18/h3-5,10-11,14H,6-9,16H2,1-2H3
InChIKeyRUDLLMYILNSNLF-UHFFFAOYSA-N
XLogP2.08
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine
CID 65283859
1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 63404037
2-[2-amino-1-(3-bromophenyl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857252
1-(3-bromophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171539
1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine
CID 102956347
4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile
CID 79664099
1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
CID 106585979
1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317790
(1S)-1-(3-bromophenyl)ethanamine;1-bromo-3-propan-2-ylbenzene;dichloromethane;(1S)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanamine;1-methyl-4-(3-propan-2-ylphenyl)piperazine
CID 160866373
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194675

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine (CID 55019574) is 1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine is CC(N)C(c1cccc(Br)c1)N1CCN(C)CC1.
What is the InChIKey of 1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine?
The InChIKey is RUDLLMYILNSNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-11(16)14(12-4-3-5-13(15)10-12)18-8-6-17(2)7-9-18/h3-5,10-11,14H,6-9,16H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine?
1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine has a molecular weight of 312.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 55019574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).