N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine

C15H24BrN3 — CID 43280393

IUPACN-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Br)cc1N1CCN(C)CC1
InChIInChI=1S/C15H24BrN3/c1-12(2)17-11-13-4-5-14(16)10-15(13)19-8-6-18(3)7-9-19/h4-5,10,12,17H,6-9,11H2,1-3H3
InChIKeyHFICRMPMDKEDPL-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.70
Rot. Bonds4

About N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine

N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 43280393) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID43280393
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Br)cc1N1CCN(C)CC1
InChIInChI=1S/C15H24BrN3/c1-12(2)17-11-13-4-5-14(16)10-15(13)19-8-6-18(3)7-9-19/h4-5,10,12,17H,6-9,11H2,1-3H3
InChIKeyHFICRMPMDKEDPL-UHFFFAOYSA-N
XLogP2.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 43280395
1-[5-bromo-2-(bromomethyl)phenyl]-4-methylpiperazine
CID 107078956
[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 43281531
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-bromophenyl]methyl]propan-2-amine
CID 79929693
1-[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]butan-2-amine
CID 63787411
1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine
CID 43281124
N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine
CID 102884920
N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105072808
N-[(4-bromo-2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 43280272
1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 82972475
1-[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 82971471
N-[[2-(azepan-1-yl)-4-bromophenyl]methyl]-2-methylpropan-2-amine
CID 63566560

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine (CID 43280393) is N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(Br)cc1N1CCN(C)CC1.
What is the InChIKey of N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is HFICRMPMDKEDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12(2)17-11-13-4-5-14(16)10-15(13)19-8-6-18(3)7-9-19/h4-5,10,12,17H,6-9,11H2,1-3H3.
What are the key properties of N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43280393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).