3-[1-(4-bromophenyl)ethyl]aniline

C14H14BrN — CID 155293877

IUPAC3-[1-(4-bromophenyl)ethyl]aniline
SMILESCC(c1ccc(Br)cc1)c1cccc(N)c1
InChIInChI=1S/C14H14BrN/c1-10(11-5-7-13(15)8-6-11)12-3-2-4-14(16)9-12/h2-10H,16H2,1H3
InChIKeyDGDCQFYODQWLQA-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.18
Rot. Bonds2

About 3-[1-(4-bromophenyl)ethyl]aniline

3-[1-(4-bromophenyl)ethyl]aniline (PubChem CID 155293877) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is 3-[1-(4-bromophenyl)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(4-bromophenyl)ethyl]aniline
PubChem CID155293877
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name3-[1-(4-bromophenyl)ethyl]aniline
SMILESCC(c1ccc(Br)cc1)c1cccc(N)c1
InChIInChI=1S/C14H14BrN/c1-10(11-5-7-13(15)8-6-11)12-3-2-4-14(16)9-12/h2-10H,16H2,1H3
InChIKeyDGDCQFYODQWLQA-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 118363165
3-N-[1-(4-bromophenyl)ethyl]benzene-1,3-diamine
CID 54965501
3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107283479
3-[1-(3-bromophenoxy)ethyl]aniline
CID 61263689
(3-aminophenyl)-(4-propan-2-ylphenyl)methanol
CID 91678371
3-[1-(2-fluorophenyl)ethyl]aniline
CID 144917250
3-[1-(3-bromo-5-fluorophenoxy)ethyl]aniline
CID 81322603
3-[[(4-bromophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460270
2-[1-(3-aminophenyl)ethylamino]-5-bromobenzonitrile
CID 114895108
1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol
CID 90913483
3-(4-methylpentan-2-yl)aniline
CID 15215881
3-[1-(2-bromophenoxy)ethyl]aniline
CID 61262951

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromophenyl)ethyl]aniline?
The IUPAC name of 3-[1-(4-bromophenyl)ethyl]aniline (CID 155293877) is 3-[1-(4-bromophenyl)ethyl]aniline.
What is the SMILES notation for 3-[1-(4-bromophenyl)ethyl]aniline?
The canonical SMILES for 3-[1-(4-bromophenyl)ethyl]aniline is CC(c1ccc(Br)cc1)c1cccc(N)c1.
What is the InChIKey of 3-[1-(4-bromophenyl)ethyl]aniline?
The InChIKey is DGDCQFYODQWLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-10(11-5-7-13(15)8-6-11)12-3-2-4-14(16)9-12/h2-10H,16H2,1H3.
What are the key properties of 3-[1-(4-bromophenyl)ethyl]aniline?
3-[1-(4-bromophenyl)ethyl]aniline has a molecular weight of 276.18 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromophenyl)ethyl]aniline is sourced from PubChem (CID 155293877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).