2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline

C14H21BrN2 — CID 55235070

IUPAC2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
SMILESCC(N)Cc1ccc(Br)cc1N(C)CC1CC1
InChIInChI=1S/C14H21BrN2/c1-10(16)7-12-5-6-13(15)8-14(12)17(2)9-11-3-4-11/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3
InChIKeyFZROQYXELIVCTC-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.18
Rot. Bonds5

About 2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline

2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline (PubChem CID 55235070) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
PubChem CID55235070
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
SMILESCC(N)Cc1ccc(Br)cc1N(C)CC1CC1
InChIInChI=1S/C14H21BrN2/c1-10(16)7-12-5-6-13(15)8-14(12)17(2)9-11-3-4-11/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3
InChIKeyFZROQYXELIVCTC-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline 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-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline
CID 107402418
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine
CID 60985000
2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline
CID 63784972
5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 107082009
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260
2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63815166
5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63553037
2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 114861570
2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline
CID 63816184
5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 63552851

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline?
The IUPAC name of 2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline (CID 55235070) is 2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline is CC(N)Cc1ccc(Br)cc1N(C)CC1CC1.
What is the InChIKey of 2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline?
The InChIKey is FZROQYXELIVCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10(16)7-12-5-6-13(15)8-14(12)17(2)9-11-3-4-11/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline?
2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline has a molecular weight of 297.24 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline is sourced from PubChem (CID 55235070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).