5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline

C16H27BrN2 — CID 43571422

IUPAC5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Br)cc1N(C)C(CC)CC
InChIInChI=1S/C16H27BrN2/c1-5-10-18-12-13-8-9-14(17)11-16(13)19(4)15(6-2)7-3/h8-9,11,15,18H,5-7,10,12H2,1-4H3
InChIKeyQGSGGDVWQOFPCO-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.57
Rot. Bonds8

About 5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline

5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline (PubChem CID 43571422) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline
PubChem CID43571422
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC Name5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Br)cc1N(C)C(CC)CC
InChIInChI=1S/C16H27BrN2/c1-5-10-18-12-13-8-9-14(17)11-16(13)19(4)15(6-2)7-3/h8-9,11,15,18H,5-7,10,12H2,1-4H3
InChIKeyQGSGGDVWQOFPCO-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-bromo-N-methyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 104552856
N-[(5-bromo-2-methylphenyl)methyl]propan-1-amine
CID 65307998
5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline
CID 43281950
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 63553418
5-bromo-N-methyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43527761
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline
CID 114848415
5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 79488935
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 114853300
N-[(4-bromo-2-tert-butylsulfanylphenyl)methyl]propan-1-amine
CID 55240174
4-bromo-1-N-methyl-1-N-pentan-3-ylbenzene-1,2-diamine
CID 43570912
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 79310953
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 107332749

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline?
The IUPAC name of 5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline (CID 43571422) is 5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline.
What is the SMILES notation for 5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline?
The canonical SMILES for 5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline is CCCNCc1ccc(Br)cc1N(C)C(CC)CC.
What is the InChIKey of 5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline?
The InChIKey is QGSGGDVWQOFPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-5-10-18-12-13-8-9-14(17)11-16(13)19(4)15(6-2)7-3/h8-9,11,15,18H,5-7,10,12H2,1-4H3.
What are the key properties of 5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline?
5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline has a molecular weight of 327.31 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline is sourced from PubChem (CID 43571422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).