4-(3-bromophenyl)pentan-2-amine

C11H16BrN — CID 83912731

IUPAC4-(3-bromophenyl)pentan-2-amine
SMILESCC(N)CC(C)c1cccc(Br)c1
InChIInChI=1S/C11H16BrN/c1-8(6-9(2)13)10-4-3-5-11(12)7-10/h3-5,7-9H,6,13H2,1-2H3
InChIKeyROISOANZDSICPF-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.29
Rot. Bonds3

About 4-(3-bromophenyl)pentan-2-amine

4-(3-bromophenyl)pentan-2-amine (PubChem CID 83912731) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 4-(3-bromophenyl)pentan-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)pentan-2-amine
PubChem CID83912731
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name4-(3-bromophenyl)pentan-2-amine
SMILESCC(N)CC(C)c1cccc(Br)c1
InChIInChI=1S/C11H16BrN/c1-8(6-9(2)13)10-4-3-5-11(12)7-10/h3-5,7-9H,6,13H2,1-2H3
InChIKeyROISOANZDSICPF-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylphenyl)pentan-2-amine
CID 64719404
2-(3-bromophenyl)propane-1-thiol
CID 115038075
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
3-(3-bromophenyl)butanethioamide
CID 83924012
CID 22401835
CID 22401835
2-amino-3-(3-bromophenyl)butan-1-ol
CID 83912819
5-(3-bromophenyl)-4-methylpentan-2-amine
CID 64719403
amino-(3-bromophenyl)methanethiol
CID 116939544
2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol
CID 116945676
1-bromo-3-[1-(1-phenylethoxy)propan-2-yl]benzene
CID 174259329
1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine
CID 116948153
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)pentan-2-amine?
The IUPAC name of 4-(3-bromophenyl)pentan-2-amine (CID 83912731) is 4-(3-bromophenyl)pentan-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)pentan-2-amine?
The canonical SMILES for 4-(3-bromophenyl)pentan-2-amine is CC(N)CC(C)c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)pentan-2-amine?
The InChIKey is ROISOANZDSICPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-8(6-9(2)13)10-4-3-5-11(12)7-10/h3-5,7-9H,6,13H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)pentan-2-amine?
4-(3-bromophenyl)pentan-2-amine has a molecular weight of 242.16 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)pentan-2-amine is sourced from PubChem (CID 83912731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).