5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline

C11H17BrN2 — CID 115113337

IUPAC5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline
SMILESCN(C)c1cc(CCCN)ccc1Br
InChIInChI=1S/C11H17BrN2/c1-14(2)11-8-9(4-3-7-13)5-6-10(11)12/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeyBFFHRVCLXCVVAC-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.41
Rot. Bonds4

About 5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline

5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline (PubChem CID 115113337) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline.

Molecular Properties

Compound Name5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline
PubChem CID115113337
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline
SMILESCN(C)c1cc(CCCN)ccc1Br
InChIInChI=1S/C11H17BrN2/c1-14(2)11-8-9(4-3-7-13)5-6-10(11)12/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeyBFFHRVCLXCVVAC-UHFFFAOYSA-N
XLogP2.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-aminobutyl)-2-bromo-N,N-dimethylaniline
CID 117115684
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
5-(4-aminobutyl)-2-bromoaniline
CID 117115644
4-(3-aminopropyl)-N,N-dimethyl-2-nitroaniline
CID 170867494
2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline
CID 115113347
4-(aminomethyl)-2-bromo-N,N-dimethylaniline
CID 82795005
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine
CID 83901605
3-(4-aminobutyl)-N,N-dimethylaniline
CID 117283311
5-[3-bromo-4-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 113438566
5-(3-bromo-4-ethoxyphenyl)pentan-1-amine
CID 104662909
4-(2-aminoethyl)-N,N,2-trimethylaniline
CID 18543495
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
CID 172845275

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline?
The IUPAC name of 5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline (CID 115113337) is 5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline.
What is the SMILES notation for 5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline?
The canonical SMILES for 5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline is CN(C)c1cc(CCCN)ccc1Br.
What is the InChIKey of 5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline?
The InChIKey is BFFHRVCLXCVVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-14(2)11-8-9(4-3-7-13)5-6-10(11)12/h5-6,8H,3-4,7,13H2,1-2H3.
What are the key properties of 5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline?
5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline has a molecular weight of 257.17 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline is sourced from PubChem (CID 115113337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).